[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 3-(tert-butylsulfamoyl)-4-chloranyl-benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 3-(tert-butylsulfamoyl)-4-chloro-benzoate CAS Name: 3-(tert-butylsulfamoyl)-4-chlorobenzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 3-(tert-butylsulfamoyl)-4-chlorobenzoate Traditional Name: 3-(tert-butylsulfamoyl)-4-chloro-benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H20ClN3O7S MolecularWeight: 469.896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O7S/c1-19(2,3)22-31(28,29)16-10-12(4-9-15(16)20)18(25)30-11-17(24)21-13-5-7-14(8-6-13)23(26)27/h4-10,22H,11H2,1-3H3,(H,21,24)