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

Systemtic Name: 3-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(4-acetylphenyl)sulfonylpiperazine-1-carbonyl]benzonitrile Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-15(24)17-5-7-19(8-6-17)28(26,27)23-11-9-22(10-12-23)20(25)18-4-2-3-16(13-18)14-21/h2-8,13H,9-12H2,1H3