N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(phenylsulfonyl)piperazin-1-yl]ethanamide Openeye Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

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