[4-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[[2-(2,6-dimethylanilino)-2-oxo-ethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: [4-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[[2-(2,6-dimethylanilino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C23H21N3O7S MolecularWeight: 483.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O7S/c1-15-5-3-6-16(2)22(15)25-21(27)14-24-23(28)17-9-11-19(12-10-17)33-34(31,32)20-8-4-7-18(13-20)26(29)30/h3-13H,14H2,1-2H3,(H,24,28)(H,25,27)