2-cyano-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide

Systemtic Name: 2-cyano-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-2-cyano-benzenesulfonamide CAS Name: 2-cyano-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-2-cyanobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-keto-ethyl]-2-cyano-benzenesulfonamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CNS(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N4O3S/c21-14-18-8-4-5-9-19(18)28(26,27)22-15-20(25)24-12-10-23(11-13-24)16-17-6-2-1-3-7-17/h1-9,22H,10-13,15-16H2