null CDK 0224162212 null 32 35 0 0 0 0 0 0 0 0999 V2000 -5.2224 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8099 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2224 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8099 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -5.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9849 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -3.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1599 -2.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -4.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -3.7125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -4.1250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 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 2 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 12 11 1 6 0 0 0 12 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 12 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 15 20 1 6 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 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 26 1 0 0 0 0 31 32 1 0 0 0 0 32 23 1 0 0 0 0 M END > CHEBI:97320 > N-[(2R,3R,6R)-6-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-(hydroxymethyl)oxan-3-yl]-4-methylbenzenesulfonamide > 2 > C24H30N2O5S > 458.572 > 458.18754 > 0 > CC1=CC=C(C=C1)S(=O)(=O)N[C@@H]2CC[C@@H](O[C@H]2CO)CC(=O)N3CCC4=CC=CC=C4C3 > InChI=1S/C24H30N2O5S/c1-17-6-9-21(10-7-17)32(29,30)25-22-11-8-20(31-23(22)16-27)14-24(28)26-13-12-18-4-2-3-5-19(18)15-26/h2-7,9-10,20,22-23,25,27H,8,11-16H2,1H3/t20-,22-,23+/m1/s1 > YSHLOQAWMNLOEI-MZYLBHOOSA-N > LSM-8699 $$$$