[4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[4-(phenylcarbonyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-benzoylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-benzoyl-1-piperazinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-benzoylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-benzoylpiperazine-1-carbonyl)phenyl] ester Formula: C24H21N3O7S MolecularWeight: 495.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O7S/c28-23(18-5-2-1-3-6-18)25-13-15-26(16-14-25)24(29)19-9-11-21(12-10-19)34-35(32,33)22-8-4-7-20(17-22)27(30)31/h1-12,17H,13-16H2