[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)carbamoyl]phenyl] ester Formula: C24H20N4O6S MolecularWeight: 492.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O6S/c1-16-23(17(2)27(26-16)19-7-4-3-5-8-19)25-24(29)18-11-13-21(14-12-18)34-35(32,33)22-10-6-9-20(15-22)28(30)31/h3-15H,1-2H3,(H,25,29)