N-(cyanomethyl)-N'-(phenylmethyl)-2-[1-(phenylsulfonyl)ethyl]propanediamide

Systemtic Name: N-(cyanomethyl)-N'-(phenylmethyl)-2-[1-(phenylsulfonyl)ethyl]propanediamide Openeye Name: 2-[1-(benzenesulfonyl)ethyl]-N-benzyl-N'-(cyanomethyl)propanediamide CAS Name: 2-[1-(benzenesulfonyl)ethyl]-N-(cyanomethyl)-N'-(phenylmethyl)propanediamide IUPAC Name: 2-[1-(benzenesulfonyl)ethyl]-N-benzyl-N'-(cyanomethyl)propanediamide Traditional Name: N-benzyl-2-(1-besylethyl)-N'-(cyanomethyl)malonamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC#N)C(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C(C(=O)NCC#N)C(=O)NCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H21N3O4S/c1-15(28(26,27)17-10-6-3-7-11-17)18(19(24)22-13-12-21)20(25)23-14-16-8-4-2-5-9-16/h2-11,15,18H,13-14H2,1H3,(H,22,24)(H,23,25)