null CDK 0224162252 null 38 41 0 0 0 0 0 0 0 0999 V2000 3.9641 -2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7877 -3.7289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4865 -4.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 -3.6382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -2.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 -2.6472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0850 -2.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8977 -1.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1813 -1.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6522 -0.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5559 -1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7431 -1.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 -0.4248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1937 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3355 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1102 -2.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 -2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3633 -3.2123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8924 -3.8453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5921 -4.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7765 -4.7378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4762 -5.5062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2612 -4.0935 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9055 -3.5782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 -4.6088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7459 -3.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0697 -3.5733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -2.9290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2847 -2.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -2.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0462 -2.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7999 -1.5163 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9196 -3.8392 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4938 -3.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -4.6327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 -5.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 7 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 31 34 1 0 0 0 0 4 35 1 0 0 0 0 35 36 1 6 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:98424 > LSM-9803 > 2 > C29H33ClN2O5S > 557.103 > 556.17987 > 0 > C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)S(=O)(=O)C4=CC=C(C=C4)Cl)[C@H](C)CO > InChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21-,28+/m1/s1 > SHOKCNHESYLQAS-CJYOKPGZSA-N > LSM-9803 $$$$