N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCS(=O)(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H22N2O3S2/c21-13-17-16-9-4-5-10-18(16)26-20(17)22-19(23)11-6-12-27(24,25)14-15-7-2-1-3-8-15/h1-3,7-8H,4-6,9-12,14H2,(H,22,23)