N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-naphthylsulfonyl)piperazin-1-yl]acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]acetamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)acetamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[4-(2-naphthylsulfonyl)piperazino]acetamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4)C#N

InChI

InChI=1S/C25H26N4O3S2/c26-16-22-21-7-3-4-8-23(21)33-25(22)27-24(30)17-28-11-13-29(14-12-28)34(31,32)20-10-9-18-5-1-2-6-19(18)15-20/h1-2,5-6,9-10,15H,3-4,7-8,11-14,17H2,(H,27,30)