[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(tert-butylsulfamoyl)benzoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(tert-butylsulfamoyl)benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(tert-butylsulfamoyl)benzoate CAS Name: 4-(tert-butylsulfamoyl)benzoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(tert-butylsulfamoyl)benzoate Traditional Name: 4-(tert-butylsulfamoyl)benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H22ClN3O7S MolecularWeight: 483.92258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl)OC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C20H22ClN3O7S/c1-12(18(25)22-17-10-7-14(24(27)28)11-16(17)21)31-19(26)13-5-8-15(9-6-13)32(29,30)23-20(2,3)4/h5-12,23H,1-4H3,(H,22,25)