[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate CAS Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl] 3-[(4-butylphenyl)sulfamoyl]benzoate Traditional Name: 3-[(4-butylphenyl)sulfamoyl]benzoic acid [2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl] ester Formula: C29H31N3O6S MolecularWeight: 549.63794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)N3C4=CC=CC=C4NC(=O)C3(C)C

InChI

InChI=1S/C29H31N3O6S/c1-4-5-9-20-14-16-22(17-15-20)31-39(36,37)23-11-8-10-21(18-23)27(34)38-19-26(33)32-25-13-7-6-12-24(25)30-28(35)29(32,2)3/h6-8,10-18,31H,4-5,9,19H2,1-3H3,(H,30,35)