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

Systemtic Name: N-(6-tert-butyl-3-cyano-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-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: 2-[4-(benzenesulfonyl)-1-piperazinyl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-(4-besylpiperazino)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C25H32N4O3S2 MolecularWeight: 500.67658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H32N4O3S2/c1-25(2,3)18-9-10-20-21(16-26)24(33-22(20)15-18)27-23(30)17-28-11-13-29(14-12-28)34(31,32)19-7-5-4-6-8-19/h4-8,18H,9-15,17H2,1-3H3,(H,27,30)