N-(cyanomethyl)-N'-(phenylmethyl)-2-[2-(phenylsulfonyl)ethyl]propanediamide

Systemtic Name: N-(cyanomethyl)-N'-(phenylmethyl)-2-[2-(phenylsulfonyl)ethyl]propanediamide Openeye Name: 2-[2-(benzenesulfonyl)ethyl]-N-benzyl-N'-(cyanomethyl)propanediamide CAS Name: 2-[2-(benzenesulfonyl)ethyl]-N-(cyanomethyl)-N'-(phenylmethyl)propanediamide IUPAC Name: 2-[2-(benzenesulfonyl)ethyl]-N-benzyl-N'-(cyanomethyl)propanediamide Traditional Name: N-benzyl-2-(2-besylethyl)-N'-(cyanomethyl)malonamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(CCS(=O)(=O)C2=CC=CC=C2)C(=O)NCC#N

InChI

InChI=1S/C20H21N3O4S/c21-12-13-22-19(24)18(20(25)23-15-16-7-3-1-4-8-16)11-14-28(26,27)17-9-5-2-6-10-17/h1-10,18H,11,13-15H2,(H,22,24)(H,23,25)