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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylmethyl)sulfonyl-ethanamide Openeye Name: 2-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(phenylmethyl)sulfonylacetamide IUPAC Name: 2-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide Traditional Name: 2-benzylsulfonyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)acetamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S2/c19-10-15-14-8-4-5-9-16(14)24-18(15)20-17(21)12-25(22,23)11-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-9,11-12H2,(H,20,21)