[4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[4-(2-hydroxyphenyl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[4-(2-hydroxyphenyl)-1-piperazinyl]-oxomethyl]phenyl] ester IUPAC Name: [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]phenyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N3O7S/c27-22-7-2-1-6-21(22)24-12-14-25(15-13-24)23(28)17-8-10-19(11-9-17)33-34(31,32)20-5-3-4-18(16-20)26(29)30/h1-11,16,27H,12-15H2