2-[4-(4-oxidanylidene-4-phenyl-butanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(4-oxidanylidene-4-phenyl-butanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-oxo-4-phenyl-butanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1,4-dioxo-4-phenylbutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-keto-4-phenyl-butanoyl)piperazino]sulfonylbenzonitrile Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C(=O)CCC(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C21H21N3O4S/c22-16-18-8-4-5-9-20(18)29(27,28)24-14-12-23(13-15-24)21(26)11-10-19(25)17-6-2-1-3-7-17/h1-9H,10-15H2