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

Systemtic Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-isoquinolin-5-ylsulfonyl-amino]ethanoate hydrochloride Openeye Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-(5-isoquinolylsulfonyl)amino]acetate hydrochloride CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-(5-isoquinolinylsulfonyl)amino]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-isoquinolin-5-ylsulfonylamino]acetate hydrochloride Traditional Name: 2-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-(5-isoquinolylsulfonyl)amino]acetic acid ethyl ester hydrochloride Formula: C29H29ClN6O4S MolecularWeight: 593.09636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4C=CN=C5.Cl

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C)S(=O)(=O)C4=CC=CC5=C4C=CN=C5.Cl

InChI

InChI=1S/C29H28N6O4S.ClH/c1-3-39-28(36)18-35(40(37,38)26-6-4-5-21-17-32-14-13-23(21)26)22-11-12-25-24(16-22)33-27(34(25)2)15-19-7-9-20(10-8-19)29(30)31;/h4-14,16-17H,3,15,18H2,1-2H3,(H3,30,31);1H