[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate Openeye Name: [2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl] 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoate CAS Name: 2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-bromo-3-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-methylanilino)-2-oxoethyl] 2-[(4-methyl-3-nitrophenyl)sulfonylamino]benzoate Traditional Name: 2-[(4-methyl-3-nitro-phenyl)sulfonylamino]benzoic acid [2-(4-bromo-3-methyl-anilino)-2-keto-ethyl] ester Formula: C23H20BrN3O7S MolecularWeight: 562.3898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=C(C=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C23H20BrN3O7S/c1-14-7-9-17(12-21(14)27(30)31)35(32,33)26-20-6-4-3-5-18(20)23(29)34-13-22(28)25-16-8-10-19(24)15(2)11-16/h3-12,26H,13H2,1-2H3,(H,25,28)