N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(phenylsulfonyl)benzenesulfonamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N-(phenylsulfonyl)benzenesulfonamide Openeye Name: N-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzenesulfonamide CAS Name: N-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzenesulfonamide IUPAC Name: N-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzenesulfonamide Traditional Name: N-besyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzenesulfonamide Formula: C21H18N2O4S3 MolecularWeight: 458.57362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C#N

InChI

InChI=1S/C21H18N2O4S3/c22-15-19-18-13-7-8-14-20(18)28-21(19)23(29(24,25)16-9-3-1-4-10-16)30(26,27)17-11-5-2-6-12-17/h1-6,9-12H,7-8,13-14H2