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

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-3-(phenylmethyl)sulfonyl-propanamide Openeye Name: 3-benzylsulfonyl-N-(3-cyano-4,5-dimethyl-2-thienyl)propanamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-3-(phenylmethyl)sulfonylpropanamide IUPAC Name: 3-benzylsulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)propanamide Traditional Name: 3-benzylsulfonyl-N-(3-cyano-4,5-dimethyl-2-thienyl)propionamide Formula: C17H18N2O3S2 MolecularWeight: 362.46642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S2/c1-12-13(2)23-17(15(12)10-18)19-16(20)8-9-24(21,22)11-14-6-4-3-5-7-14/h3-7H,8-9,11H2,1-2H3,(H,19,20)