3-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl 4-(dimethylsulfamoyl)benzoate

Systemtic Name: 3-(2-azanyl-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl 4-(dimethylsulfamoyl)benzoate Openeye Name: 3-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl 4-(dimethylsulfamoyl)benzoate CAS Name: 4-(dimethylsulfamoyl)benzoic acid 3-(2-amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)propyl ester IUPAC Name: 3-(2-amino-3-cyanopyrrolo[3,2-b]quinoxalin-1-yl)propyl 4-(dimethylsulfamoyl)benzoate Traditional Name: 4-(dimethylsulfamoyl)benzoic acid 3-(2-amino-3-cyano-pyrrolo[3,2-b]quinoxalin-1-yl)propyl ester Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)OCCCN2C(=C(C3=NC4=CC=CC=C4N=C32)C#N)N

InChI

InChI=1S/C23H22N6O4S/c1-28(2)34(31,32)16-10-8-15(9-11-16)23(30)33-13-5-12-29-21(25)17(14-24)20-22(29)27-19-7-4-3-6-18(19)26-20/h3-4,6-11H,5,12-13,25H2,1-2H3