4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 4-(4-tosylpiperazine-1-carbonyl)benzonitrile Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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