[4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2,5-dimethylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2,5-dimethylphenyl)carbamoyl]phenyl] ester Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N2O6S/c1-14-6-7-15(2)20(12-14)22-21(24)16-8-10-18(11-9-16)29-30(27,28)19-5-3-4-17(13-19)23(25)26/h3-13H,1-2H3,(H,22,24)