N-(3-cyanophenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide

Systemtic Name: N-(3-cyanophenyl)-4-oxidanylidene-4-[4-(phenylsulfonyl)piperazin-1-yl]butanamide Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-cyanophenyl)-4-oxo-butanamide CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-N-(3-cyanophenyl)-4-oxobutanamide IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-cyanophenyl)-4-oxobutanamide Traditional Name: 4-(4-besylpiperazino)-N-(3-cyanophenyl)-4-keto-butyramide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)NC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O4S/c22-16-17-5-4-6-18(15-17)23-20(26)9-10-21(27)24-11-13-25(14-12-24)30(28,29)19-7-2-1-3-8-19/h1-8,15H,9-14H2,(H,23,26)