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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(phenylsulfonyl)benzamide Openeye Name: 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide Traditional Name: 4-besyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C22H18N2O3S2 MolecularWeight: 422.51992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O3S2/c23-14-19-18-8-4-5-9-20(18)28-22(19)24-21(25)15-10-12-17(13-11-15)29(26,27)16-6-2-1-3-7-16/h1-3,6-7,10-13H,4-5,8-9H2,(H,24,25)