N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-[(4-methyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]-3-(4-methylpiperazino)sulfonyl-benzamide Formula: C27H29N5O3S2 MolecularWeight: 535.68086

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C27H29N5O3S2/c1-31-13-15-32(16-14-31)37(34,35)19-8-6-7-18(17-19)26(33)30-27-24(20-9-2-5-12-23(20)36-27)25-28-21-10-3-4-11-22(21)29-25/h3-4,6-8,10-11,17H,2,5,9,12-16H2,1H3,(H,28,29)(H,30,33)