3-[4-(4-methylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-methylphenyl)carbonylpiperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-(4-methylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-(4-methylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-(4-p-toluoylpiperazino)sulfonylbenzonitrile Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O3S/c1-15-5-7-17(8-6-15)19(23)21-9-11-22(12-10-21)26(24,25)18-4-2-3-16(13-18)14-20/h2-8,13H,9-12H2,1H3