[2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Openeye Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 3-[butyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 3-[butyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[butyl(phenyl)sulfamoyl]benzoic acid [2-keto-2-[(3-nitrobenzoyl)amino]ethyl] ester Formula: C26H25N3O8S MolecularWeight: 539.557

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H25N3O8S/c1-2-3-15-28(21-11-5-4-6-12-21)38(35,36)23-14-8-10-20(17-23)26(32)37-18-24(30)27-25(31)19-9-7-13-22(16-19)29(33)34/h4-14,16-17H,2-3,15,18H2,1H3,(H,27,30,31)