2-[[3-azanyl-6-chloranyl-2-methoxy-7-(trifluoromethyl)quinoxalin-5-yl]sulfamoyl]ethanesulfonic acid

Systemtic Name: 2-[[3-azanyl-6-chloranyl-2-methoxy-7-(trifluoromethyl)quinoxalin-5-yl]sulfamoyl]ethanesulfonic acid Openeye Name: 2-[[3-amino-6-chloro-2-methoxy-7-(trifluoromethyl)quinoxalin-5-yl]sulfamoyl]ethanesulfonic acid CAS Name: 2-[[3-amino-6-chloro-2-methoxy-7-(trifluoromethyl)-5-quinoxalinyl]sulfamoyl]ethanesulfonic acid IUPAC Name: 2-[[3-amino-6-chloro-2-methoxy-7-(trifluoromethyl)quinoxalin-5-yl]sulfamoyl]ethanesulfonic acid Traditional Name: 2-[[3-amino-6-chloro-2-methoxy-7-(trifluoromethyl)quinoxalin-5-yl]sulfamoyl]ethanesulfonic acid Formula: C12H12ClF3N4O6S2 MolecularWeight: 464.82509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=C(C(=C(C(=C2)C(F)(F)F)Cl)NS(=O)(=O)CCS(=O)(=O)O)N=C1N

Isomeric SMILES

COC1=NC2=C(C(=C(C(=C2)C(F)(F)F)Cl)NS(=O)(=O)CCS(=O)(=O)O)N=C1N

InChI

InChI=1S/C12H12ClF3N4O6S2/c1-26-11-10(17)19-8-6(18-11)4-5(12(14,15)16)7(13)9(8)20-27(21,22)2-3-28(23,24)25/h4,20H,2-3H2,1H3,(H2,17,19)(H,23,24,25)