N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-(phenylmethyl)sulfonyl-butanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-(phenylmethyl)sulfonyl-butanamide Openeye Name: 4-benzylsulfonyl-N-(3-cyano-4,5-dimethyl-2-thienyl)butanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-(phenylmethyl)sulfonylbutanamide IUPAC Name: 4-benzylsulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)butanamide Traditional Name: 4-benzylsulfonyl-N-(3-cyano-4,5-dimethyl-2-thienyl)butyramide Formula: C18H20N2O3S2 MolecularWeight: 376.493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H20N2O3S2/c1-13-14(2)24-18(16(13)11-19)20-17(21)9-6-10-25(22,23)12-15-7-4-3-5-8-15/h3-5,7-8H,6,9-10,12H2,1-2H3,(H,20,21)