2-[(6-chloranyl-7-ethyl-2,3-dimethoxy-quinoxalin-5-yl)sulfamoyl]ethanesulfonic acid

Systemtic Name: 2-[(6-chloranyl-7-ethyl-2,3-dimethoxy-quinoxalin-5-yl)sulfamoyl]ethanesulfonic acid Openeye Name: 2-[(6-chloro-7-ethyl-2,3-dimethoxy-quinoxalin-5-yl)sulfamoyl]ethanesulfonic acid CAS Name: 2-[(6-chloro-7-ethyl-2,3-dimethoxy-5-quinoxalinyl)sulfamoyl]ethanesulfonic acid IUPAC Name: 2-[(6-chloro-7-ethyl-2,3-dimethoxyquinoxalin-5-yl)sulfamoyl]ethanesulfonic acid Traditional Name: 2-[(6-chloro-7-ethyl-2,3-dimethoxy-quinoxalin-5-yl)sulfamoyl]ethanesulfonic acid Formula: C14H18ClN3O7S2 MolecularWeight: 439.89162

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1Cl)NS(=O)(=O)CCS(=O)(=O)O)N=C(C(=N2)OC)OC

Isomeric SMILES

CCC1=CC2=C(C(=C1Cl)NS(=O)(=O)CCS(=O)(=O)O)N=C(C(=N2)OC)OC

InChI

InChI=1S/C14H18ClN3O7S2/c1-4-8-7-9-11(17-14(25-3)13(16-9)24-2)12(10(8)15)18-26(19,20)5-6-27(21,22)23/h7,18H,4-6H2,1-3H3,(H,21,22,23)