[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(4-bromo-3-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-bromo-3-methylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(4-bromo-3-methyl-phenyl)carbamoyl]phenyl] ester Formula: C20H15BrN2O6S MolecularWeight: 491.3119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O6S/c1-13-11-15(7-10-19(13)21)22-20(24)14-5-8-17(9-6-14)29-30(27,28)18-4-2-3-16(12-18)23(25)26/h2-12H,1H3,(H,22,24)