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

Systemtic Name: [4-[4-(phenylmethyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-benzylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [4-(4-benzylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-benzylpiperazine-1-carbonyl)phenyl] ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S/c28-24(26-15-13-25(14-16-26)18-19-5-2-1-3-6-19)20-9-11-22(12-10-20)33-34(31,32)23-8-4-7-21(17-23)27(29)30/h1-12,17H,13-16,18H2