2-[8-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[8-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[8-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid CAS Name: 2-[8-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]sulfamoyl]-1-quinolin-1-iumyl]acetic acid IUPAC Name: 2-[8-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid Traditional Name: 2-[8-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]sulfamoyl]quinolin-1-ium-1-yl]acetic acid Formula: C28H25N6O5S+ MolecularWeight: 557.6003

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CC(=O)O)N=C(C1=O)CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3[N+](=CC=C4)CC(=O)O)N=C(C1=O)CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H24N6O5S/c1-33-23-12-11-20(15-21(23)31-22(28(33)37)14-17-7-9-19(10-8-17)27(29)30)32-40(38,39)24-6-2-4-18-5-3-13-34(26(18)24)16-25(35)36/h2-13,15,32H,14,16H2,1H3,(H3-,29,30,35,36)/p+1