[4-[(2-methyl-6-propan-2-yl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-methyl-6-propan-2-yl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-isopropyl-6-methyl-phenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(2-methyl-6-propan-2-ylanilino)-oxomethyl]phenyl] ester IUPAC Name: [4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-isopropyl-6-methyl-phenyl)carbamoyl]phenyl] ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S/c1-15(2)21-9-4-6-16(3)22(21)24-23(26)17-10-12-19(13-11-17)31-32(29,30)20-8-5-7-18(14-20)25(27)28/h4-15H,1-3H3,(H,24,26)