N-[4-(cyanomethyl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)-N-[4-(cyanomethyl)phenyl]acetamide Traditional Name: 2-(4-benzylsulfonylpiperazino)-N-[4-(cyanomethyl)phenyl]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=C(C=C2)CC#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c22-11-10-18-6-8-20(9-7-18)23-21(26)16-24-12-14-25(15-13-24)29(27,28)17-19-4-2-1-3-5-19/h1-9H,10,12-17H2,(H,23,26)