[4-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(5-fluoranyl-2-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-fluoro-2-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(5-fluoro-2-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-fluoro-2-methyl-phenyl)carbamoyl]phenyl] ester Formula: C20H15FN2O6S MolecularWeight: 430.406303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15FN2O6S/c1-13-5-8-15(21)11-19(13)22-20(24)14-6-9-17(10-7-14)29-30(27,28)18-4-2-3-16(12-18)23(25)26/h2-12H,1H3,(H,22,24)