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

Systemtic Name: 2-[[3-[(6-carbamimidoylpyridin-3-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid hydrochloride Openeye Name: 2-[[3-[(6-carbamimidoyl-3-pyridyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid hydrochloride CAS Name: 2-[[3-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid hydrochloride IUPAC Name: 2-[[3-[(6-carbamimidoylpyridin-3-yl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetic acid hydrochloride Traditional Name: 2-[[3-[(6-amidino-3-pyridyl)methyl]-2-keto-1-methyl-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid hydrochloride Formula: C27H24ClN7O5S MolecularWeight: 594.04136

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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=CN=C(C=C5)C(=N)N.Cl

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=CN=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C27H23N7O5S.ClH/c1-33-22-10-8-18(13-20(22)32-21(27(33)37)12-16-7-9-19(26(28)29)31-14-16)34(15-24(35)36)40(38,39)23-6-2-4-17-5-3-11-30-25(17)23;/h2-11,13-14H,12,15H2,1H3,(H3,28,29)(H,35,36);1H