26 28 0 0000 0 0 0 0 0999 V2000 5.7581 -4.1990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 5.0118 -2.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.2293 -0.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 4.0898 2.2405 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.7071 3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7071 3.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4142 3.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4142 4.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7071 5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.7071 5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4810 1.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8637 0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.8552 0.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.2550 -0.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.2378 -0.5311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.6376 -1.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6291 -1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.8380 0.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7857 -3.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.2632 -4.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.9126 -5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8365 -5.1959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.7045 2.1596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 1 25 1 0 2 19 1 0 2 20 1 0 3 17 1 0 3 21 1 0 4 5 1 0 4 13 1 0 4 26 1 0 5 6 1 0 5 7 1 0 6 8 1 0 7 9 1 0 8 10 1 0 9 11 1 0 10 12 1 0 11 12 1 0 13 14 1 0 14 15 2 0 14 16 1 0 15 17 1 0 16 18 2 0 17 19 2 0 18 19 1 0 20 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 M END > 1 22 8 1 25 8 14 15 8 14 16 8 15 17 8 16 18 8 17 19 8 18 19 8 22 23 8 23 24 8 24 25 8 > InChI=1S/C21H29NO2S/c1-23-21-14-17(15-22-18-8-5-3-2-4-6-9-18)11-12-20(21)24-16-19-10-7-13-25-19/h7,10-14,18,22H,2-6,8-9,15-16H2,1H3 > IWPPPVCNYJGSMA-UHFFFAOYSA-N > 1/0/N:21,12,10,11,8,9,24,6,7,23,16,18,25,15,13,20,14,5,22,19,17,4,3,2,1/E:(3,4)(5,6)(8,9)/rA:54nSOONCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;s4;s5;s5;s6;s7;s8;s9;s10s11;s4;s13;d14;s14;s3s15;d16;s2d17s18;s2;s3;s1s20;d22;s23;s1d24;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s12;s12;s4;s13;s13;s15;s16;s18;s20;s20;s21;s21;s21;s23;s24;s25;/rC:5.7581,-4.199,0;5.0118,-2.2483,0;6.2293,-.6616,0;4.0898,2.2405,0;3.7071,3.1644,0;2.7071,3.1644,0;4.4142,3.8715,0;2,3.8715,0;4.4142,4.8715,0;2,4.8715,0;3.7071,5.5786,0;2.7071,5.5786,0;3.481,1.4472,0;3.8637,.5233,0;4.8552,.3928,0;3.255,-.2701,0;5.2378,-.5311,0;3.6376,-1.1939,0;4.6291,-1.3245,0;4.403,-3.0417,0;6.838,.1317,0;4.7857,-3.9656,0;4.2632,-4.8182,0;4.9126,-5.5786,0;5.8365,-5.1959,0;3.3627,2.6489,0;2.8676,2.5655,0;2.1702,2.8544,0;5.0131,4.032,0;4.7242,3.3346,0;1.69,3.3346,0;1.4011,4.032,0;4.7242,5.4085,0;5.0131,4.711,0;1.4011,4.711,0;1.69,5.4085,0;3.5466,6.1775,0;4.244,5.8886,0;2.1702,5.8886,0;2.8676,6.1775,0;4.7045,2.1596,0;2.9581,1.114,0;3.0622,1.9043,0;5.2326,.8846,0;2.6403,-.1891,0;3.2602,-1.6858,0;3.8801,-3.3748,0;3.9841,-2.5846,0;7.3299,-.2457,0;7.2155,.6236,0;6.3462,.5091,0;3.6451,-4.8669,0;4.7679,-6.1815,0;6.3652,-5.5199,0; > C21 H29 N O2 S > 359.5255 > S1C([H])=C([H])C([H])=C1C([H])([H])OC1C([H])=C([H])C(=C([H])C=1OC([H])([H])[H])C([H])([H])N([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] > 3910584 $$$$