3-methylbutyl 2-azanyl-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate

Systemtic Name: 3-methylbutyl 2-azanyl-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Openeye Name: isopentyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate CAS Name: 2-amino-1-(4-sulfamoylphenyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate Traditional Name: 2-amino-1-(4-sulfamoylphenyl)pyrrolo[3,2-b]quinoxaline-3-carboxylic acid isoamyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N)N

Isomeric SMILES

CC(C)CCOC(=O)C1=C(N(C2=NC3=CC=CC=C3N=C12)C4=CC=C(C=C4)S(=O)(=O)N)N

InChI

InChI=1S/C22H23N5O4S/c1-13(2)11-12-31-22(28)18-19-21(26-17-6-4-3-5-16(17)25-19)27(20(18)23)14-7-9-15(10-8-14)32(24,29)30/h3-10,13H,11-12,23H2,1-2H3,(H2,24,29,30)