N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(p-tolylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(4-tosylpiperazino)acetamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H28N4O3S2/c1-16-3-6-18(7-4-16)32(29,30)27-11-9-26(10-12-27)15-22(28)25-23-20(14-24)19-8-5-17(2)13-21(19)31-23/h3-4,6-7,17H,5,8-13,15H2,1-2H3,(H,25,28)