[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(butan-2-ylsulfamoyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(butan-2-ylsulfamoyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(sec-butylsulfamoyl)benzoate CAS Name: 4-(butan-2-ylsulfamoyl)benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(butan-2-ylsulfamoyl)benzoate Traditional Name: 4-(sec-butylsulfamoyl)benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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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=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-4-13(2)22-31(28,29)18-10-8-15(9-11-18)20(25)30-14(3)19(24)21-16-6-5-7-17(12-16)23(26)27/h5-14,22H,4H2,1-3H3,(H,21,24)