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

Systemtic Name: [4-[4-(3-methylphenyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[4-(m-tolyl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[4-(3-methylphenyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(3-methylphenyl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[4-(m-tolyl)piperazine-1-carbonyl]phenyl] ester Formula: C24H23N3O6S MolecularWeight: 481.52092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H23N3O6S/c1-18-4-2-5-20(16-18)25-12-14-26(15-13-25)24(28)19-8-10-22(11-9-19)33-34(31,32)23-7-3-6-21(17-23)27(29)30/h2-11,16-17H,12-15H2,1H3