29 32 0 0001 0 0 0 0 0999 V2000 6.6557 -12.5430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 7.8019 -11.8787 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 7.1377 -10.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.8019 -9.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 7.1377 -8.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8091 -8.4141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1448 -7.2679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 5.8091 -6.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1448 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8163 -4.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 3.1520 -3.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.8105 -3.8163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1462 -2.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.4819 -3.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 2.3054 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4516 -2.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6108 -1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 4.6108 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.4516 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 2.3054 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1.1462 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 3.1520 -6.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 3.8163 -7.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.1448 -9.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 5.8091 -10.7195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 8.9481 -11.2145 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 8.4662 -13.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 28 1 0 2 29 2 0 3 4 2 0 3 27 1 0 4 5 1 0 5 6 2 0 6 7 1 0 6 26 1 0 7 8 1 0 7 25 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 24 1 0 11 12 1 0 12 13 1 0 13 14 1 1 13 15 1 0 13 23 1 0 15 16 2 0 15 20 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 24 25 1 0 26 27 2 0 M END > InChI=1S/C21H27N3O3S/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21/h1-8,21H,9-16H2,(H2,22,25,26)/t21-/m0/s1 > WNUQCGWXPNGORO-NRFANRHFSA-N > 1/1/N:18,17,19,16,5,26,4,27,12,21,11,9,24,8,25,22,20,6,3,15,13,28,10,7,1,29,23,2/E:(5,6)(7,8)(12,13)(14,15)(25,26)/it:im/CRV:28.6/rA:29cOSCCCCNCCNCCCHCCCCCCCCOCCCCNO/rB:d1;s2;d3;s4;d5;s6;s7;s8;s9;s10;s11;s12;P13;s13;d15;s16;d17;s18;s15d19;s20;s21;s13s22;s10;s7s24;s6;s3d26;s2;d2;/rC:6.6557,-12.543,0;7.8019,-11.8787,0;7.1377,-10.7195,0;7.8019,-9.5733,0;7.1377,-8.4141,0;5.8091,-8.4141,0;5.1448,-7.2679,0;5.8091,-6.1087,0;5.1448,-4.9625,0;3.8163,-4.9625,0;3.152,-3.8163,0;1.8105,-3.8163,0;1.1462,-2.6571,0;.4819,-3.8163,0;2.3054,-1.9928,0;3.4516,-2.6571,0;4.6108,-1.9928,0;4.6108,-.6643,0;3.4516,0,0;2.3054,-.6643,0;1.1462,0,0;0,-.6643,0;0,-1.9928,0;3.152,-6.1087,0;3.8163,-7.2679,0;5.1448,-9.5733,0;5.8091,-10.7195,0;8.9481,-11.2145,0;8.4662,-13.0249,0; > C21 H27 N3 O3 S > 401.5224 > O=S(=O)(N)C1C=CC(N2CCN(CC[C@@]3(OCCC4=CC=CC=C34)[H])CC2)=CC=1 > 117441 $$$$