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

Systemtic Name: [4-[(2-chloranyl-4-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-chloro-4-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2-chloro-4-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-chloro-4-methylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-chloro-4-methyl-phenyl)carbamoyl]phenyl] ester Formula: C20H15ClN2O6S MolecularWeight: 446.8609

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN2O6S/c1-13-5-10-19(18(21)11-13)22-20(24)14-6-8-16(9-7-14)29-30(27,28)17-4-2-3-15(12-17)23(25)26/h2-12H,1H3,(H,22,24)