null CDK 0224162328 null 38 42 0 0 0 0 0 0 0 0999 V2000 12.7551 -0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0407 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3262 -2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 -1.8029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6117 -0.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3262 -0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9986 -2.3549 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1547 -3.0223 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9217 -3.8230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0967 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6842 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4467 -5.2520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6217 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3342 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9217 -5.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1592 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3967 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3967 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5717 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 -4.5375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6342 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4592 -4.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6967 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3467 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1092 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6967 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8717 -5.2520 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 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 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 15 17 1 0 0 0 0 11 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 23 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 29 1 0 0 0 0 M END > CHEBI:104003 > 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide > 2 > C29H32N4O3S2 > 548.723 > 548.19158 > 0 > CC1=CC2=C(C=C1)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4 > InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3 > AVOROEGEYAGDGQ-UHFFFAOYSA-N > LSM-15357 $$$$