4-oxidanylidene-2-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile

Systemtic Name: 4-oxidanylidene-2-phenyl-4-[4-(phenylsulfonyl)piperazin-1-yl]butanenitrile Openeye Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-2-phenyl-butanenitrile CAS Name: 4-[4-(benzenesulfonyl)-1-piperazinyl]-4-oxo-2-phenylbutanenitrile IUPAC Name: 4-[4-(benzenesulfonyl)piperazin-1-yl]-4-oxo-2-phenylbutanenitrile Traditional Name: 4-(4-besylpiperazino)-4-keto-2-phenyl-butyronitrile Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S/c21-16-18(17-7-3-1-4-8-17)15-20(24)22-11-13-23(14-12-22)27(25,26)19-9-5-2-6-10-19/h1-10,18H,11-15H2