(E)-N-(cyanomethyl)-5-phenyl-2-[(phenylmethyl)sulfonylmethyl]pent-4-enamide

Systemtic Name: (E)-N-(cyanomethyl)-5-phenyl-2-[(phenylmethyl)sulfonylmethyl]pent-4-enamide Openeye Name: (E)-2-(benzylsulfonylmethyl)-N-(cyanomethyl)-5-phenyl-pent-4-enamide CAS Name: (E)-N-(cyanomethyl)-5-phenyl-2-[(phenylmethyl)sulfonylmethyl]-4-pentenamide IUPAC Name: (E)-2-(benzylsulfonylmethyl)-N-(cyanomethyl)-5-phenylpent-4-enamide Traditional Name: (E)-2-(benzylsulfonylmethyl)-N-(cyanomethyl)-5-phenyl-pent-4-enamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CC=CC2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(C/C=C/C2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C21H22N2O3S/c22-14-15-23-21(24)20(13-7-12-18-8-3-1-4-9-18)17-27(25,26)16-19-10-5-2-6-11-19/h1-12,20H,13,15-17H2,(H,23,24)/b12-7+