N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonyl-benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(4-phenyl-1-piperazinyl)sulfonyl]benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(4-phenylpiperazino)sulfonyl-benzamide Formula: C26H26N4O3S2 MolecularWeight: 506.63964

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C26H26N4O3S2/c27-18-23-22-11-4-5-12-24(22)34-26(23)28-25(31)19-7-6-10-21(17-19)35(32,33)30-15-13-29(14-16-30)20-8-2-1-3-9-20/h1-3,6-10,17H,4-5,11-16H2,(H,28,31)