N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(phenylsulfonyl)propanamide

Systemtic Name: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(phenylsulfonyl)propanamide Openeye Name: 3-(benzenesulfonyl)-N-[2-(2-cyanoethylsulfanyl)phenyl]propanamide CAS Name: 3-(benzenesulfonyl)-N-[2-(2-cyanoethylthio)phenyl]propanamide IUPAC Name: 3-(benzenesulfonyl)-N-[2-(2-cyanoethylsulfanyl)phenyl]propanamide Traditional Name: 3-besyl-N-[2-(2-cyanoethylthio)phenyl]propionamide Formula: C18H18N2O3S2 MolecularWeight: 374.47712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CCC(=O)NC2=CC=CC=C2SCCC#N

InChI

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