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

Systemtic Name: [4-[4-(4-fluorophenyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl] ester Formula: C23H20FN3O6S MolecularWeight: 485.484803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN3O6S/c24-18-6-8-19(9-7-18)25-12-14-26(15-13-25)23(28)17-4-10-21(11-5-17)33-34(31,32)22-3-1-2-20(16-22)27(29)30/h1-11,16H,12-15H2