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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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