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

Systemtic Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H24N6O5S MolecularWeight: 556.59236

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C(C1=O)CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)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)32-22(28(33)37)14-17-7-9-19(10-8-17)27(29)30)34(16-25(35)36)40(38,39)24-6-2-4-18-5-3-13-31-26(18)24/h2-13,15H,14,16H2,1H3,(H3,29,30)(H,35,36)