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

Systemtic Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]butanoic acid hydrochloride Openeye Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]butanoic acid hydrochloride CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]butanoic acid hydrochloride IUPAC Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]butanoic acid hydrochloride Traditional Name: 4-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]butyric acid hydrochloride Formula: C29H29ClN6O4S MolecularWeight: 593.09636

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CCCC(=O)O)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(CCCC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CC5=CC=C(C=C5)C(=N)N.Cl

InChI

InChI=1S/C29H28N6O4S.ClH/c1-34-24-14-13-22(18-23(24)33-26(34)17-19-9-11-21(12-10-19)29(30)31)35(16-4-8-27(36)37)40(38,39)25-7-2-5-20-6-3-15-32-28(20)25;/h2-3,5-7,9-15,18H,4,8,16-17H2,1H3,(H3,30,31)(H,36,37);1H