3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(p-tolylsulfonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-tosylpiperazine-1-carbonyl)benzonitrile Formula: C19H19N3O3S MolecularWeight: 369.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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