[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(butan-2-ylsulfamoyl)benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(butan-2-ylsulfamoyl)benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(sec-butylsulfamoyl)benzoate CAS Name: 4-(butan-2-ylsulfamoyl)benzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 4-(butan-2-ylsulfamoyl)benzoate Traditional Name: 4-(sec-butylsulfamoyl)benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)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)OCC(=O)NC2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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