methyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride

Systemtic Name: methyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: methyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester hydrochloride Formula: C28H27ClN6O4S MolecularWeight: 579.06978

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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=C1CC5=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=C1CC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C28H26N6O4S.ClH/c1-33-23-13-12-21(16-22(23)32-25(33)15-18-8-10-20(11-9-18)28(29)30)34(17-26(35)38-2)39(36,37)24-7-3-5-19-6-4-14-31-27(19)24;/h3-14,16H,15,17H2,1-2H3,(H3,29,30);1H