null CDK 0225161907 null 33 35 0 0 0 0 0 0 0 0999 V2000 -3.0714 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3569 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 -1.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -1.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5009 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2135 0.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0843 0.1990 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3698 0.6115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2978 0.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9093 0.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -0.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4927 -1.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9093 -1.7928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0843 -1.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -2.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 -3.2095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9049 -3.1018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 -3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8564 -4.0794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5363 -4.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8520 -5.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3498 -6.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 -5.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 -5.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 -4.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2549 -1.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.9612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0430 1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0385 2.3779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 4 1 0 0 0 0 7 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 6 1 0 0 0 0 16 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 15 29 1 1 0 0 0 13 30 1 0 0 0 0 30 31 1 1 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:119609 > LSM-31055 > 2 > C25H32N2O5S > 472.599 > 472.20319 > 0 > CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@H]([C@H](O2)CN(C)C(=O)C3=CC=CC=C3)C)[C@H](C)CO > InChI=1S/C25H32N2O5S/c1-5-9-20-12-13-24-22(14-20)32-23(16-26(4)25(29)21-10-7-6-8-11-21)18(2)15-27(19(3)17-28)33(24,30)31/h5-14,18-19,23,28H,15-17H2,1-4H3/t18-,19-,23-/m1/s1 > BEUJQTDXAJTLJD-DNVFCKCGSA-N > LSM-31055 $$$$