ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]propanoate hydrochloride

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]propanoate hydrochloride Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]propanoate hydrochloride CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]propanoate hydrochloride Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]propionic acid ethyl ester hydrochloride Formula: C30H31ClN6O4S MolecularWeight: 607.12294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

Isomeric SMILES

CCOC(=O)CCN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4N=CC=C5.Cl

InChI

InChI=1S/C30H30N6O4S.ClH/c1-3-40-28(37)15-17-36(41(38,39)26-8-4-6-21-7-5-16-33-29(21)26)23-13-14-25-24(19-23)34-27(35(25)2)18-20-9-11-22(12-10-20)30(31)32;/h4-14,16,19H,3,15,17-18H2,1-2H3,(H3,31,32);1H