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

Systemtic Name: methyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: methyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-quinolin-8-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester hydrochloride Formula: C29H27ClN6O5S MolecularWeight: 607.07988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H26N6O5S.ClH/c1-34-24-13-12-21(16-22(24)33-23(29(34)37)15-18-8-10-20(11-9-18)28(30)31)35(17-26(36)40-2)41(38,39)25-7-3-5-19-6-4-14-32-27(19)25;/h3-14,16H,15,17H2,1-2H3,(H3,30,31);1H