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

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(butan-2-ylsulfamoyl)benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(sec-butylsulfamoyl)benzoate CAS Name: 4-(butan-2-ylsulfamoyl)benzoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(butan-2-ylsulfamoyl)benzoate Traditional Name: 4-(sec-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:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H22ClN3O7S/c1-4-12(2)23-32(29,30)16-8-5-14(6-9-16)20(26)31-13(3)19(25)22-18-10-7-15(24(27)28)11-17(18)21/h5-13,23H,4H2,1-3H3,(H,22,25)