27 28 0 0000 0 0 0 0 0999 V2000 5.4641 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9282 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 9.7942 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 1 24 1 0 2 12 1 0 2 15 1 0 3 25 2 0 4 19 1 0 4 25 1 0 4 27 1 0 5 6 1 0 5 8 1 0 5 9 1 0 6 7 2 0 6 10 1 0 7 11 1 0 7 14 1 0 10 13 2 0 11 12 2 0 12 13 1 0 15 16 1 0 17 18 1 0 17 20 2 0 17 21 1 0 18 26 1 0 19 22 2 0 19 23 1 0 20 22 1 0 21 23 2 0 24 25 1 0 M END > 10 13 8 11 12 8 12 13 8 17 20 8 17 21 8 19 22 8 19 23 8 20 22 8 21 23 8 6 10 8 6 7 8 7 11 8 > InChI=1S/C22H29NO2S/c1-5-18-6-8-19(9-7-18)23-22(24)15-26-13-12-25-20-10-11-21(16(2)3)17(4)14-20/h6-11,14,16H,5,12-13,15H2,1-4H3,(H,23,24) > PETPELHLFADJRM-UHFFFAOYSA-N > 1/1/N:26,8,9,14,18,20,21,22,23,13,10,15,16,11,24,5,7,17,19,12,6,25,4,3,2,1/E:(2,3)(6,7)(8,9)/rA:55nSOONCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;s5;d6;s5;s5;s6;s7;s2d11;d10s12;s7;s2;s1s15;;s17;s4;d17;s17;d19s20;s19d21;s1;d3s4s24;s18;s5;s8;s8;s8;s9;s9;s9;s10;s11;s13;s14;s14;s14;s15;s15;s16;s16;s18;s18;s20;s21;s22;s23;s24;s24;s4;s26;s26;s26;/rC:5.4641,-.5,0;3.7321,1.5,0;7.1962,-1.5,0;6.3301,-3,0;3.7321,5.5,0;3.7321,4.5,0;2.866,4,0;4.5981,6,0;2.866,6,0;4.5981,4,0;2.866,3,0;3.7321,2.5,0;4.5981,3,0;2,4.5,0;4.5981,1,0;4.5981,0,0;8.9282,-4.5,0;9.7942,-5,0;7.1962,-3.5,0;8.9282,-3.5,0;8.0622,-5,0;8.0622,-3,0;7.1962,-4.5,0;5.4641,-1.5,0;6.3301,-2,0;9.7942,-6,0;3.7321,6.12,0;4.9081,5.4631,0;5.135,6.31,0;4.2881,6.5369,0;3.176,6.5369,0;2.3291,6.31,0;2.556,5.4631,0;5.135,4.31,0;2.3291,2.69,0;5.135,2.69,0;1.69,3.9631,0;1.4631,4.81,0;2.31,5.0369,0;4.8101,1.5826,0;5.2087,.8923,0;4.386,-.5826,0;3.9875,.1077,0;10.0063,-4.4174,0;10.4048,-5.1077,0;9.4651,-3.19,0;8.0622,-5.62,0;8.0622,-2.38,0;6.6592,-4.81,0;5.252,-2.0826,0;4.8535,-1.3923,0;5.7932,-3.31,0;9.1742,-6,0;10.4142,-6,0;9.7942,-6.62,0; > C22 H29 N O2 S > 371.5362 > S(C([H])([H])C(N([H])C1C([H])=C([H])C(=C([H])C=1[H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])OC1C([H])=C([H])C(=C(C([H])([H])[H])C=1[H])C([H])(C([H])([H])[H])C([H])([H])[H] > 1588141 $$$$