[4-[(5-tert-butyl-2-methoxy-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(5-tert-butyl-2-methoxy-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(5-tert-butyl-2-methoxy-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(5-tert-butyl-2-methoxyanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(5-tert-butyl-2-methoxyphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(5-tert-butyl-2-methoxy-phenyl)carbamoyl]phenyl] ester Formula: C24H24N2O7S MolecularWeight: 484.52156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O7S/c1-24(2,3)17-10-13-22(32-4)21(14-17)25-23(27)16-8-11-19(12-9-16)33-34(30,31)20-7-5-6-18(15-20)26(28)29/h5-15H,1-4H3,(H,25,27)