[4-(4-phenylpiperazin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(4-phenylpiperazin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-phenylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl] ester IUPAC Name: [4-(4-phenylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-phenylpiperazine-1-carbonyl)phenyl] ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O6S/c27-23(25-15-13-24(14-16-25)19-5-2-1-3-6-19)18-9-11-21(12-10-18)32-33(30,31)22-8-4-7-20(17-22)26(28)29/h1-12,17H,13-16H2