ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-sulfamoyl]propanoate hydrochloride

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-sulfamoyl]propanoate hydrochloride Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]-cyclopentyl-sulfamoyl]propanoate hydrochloride CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]-cyclopentylsulfamoyl]propanoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]-cyclopentylsulfamoyl]propanoate hydrochloride Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]-cyclopentyl-sulfamoyl]propionic acid ethyl ester hydrochloride Formula: C26H34ClN5O4S MolecularWeight: 548.09726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCS(=O)(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)CCS(=O)(=O)N(C1CCCC1)C2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C26H33N5O4S.ClH/c1-3-35-25(32)14-15-36(33,34)31(20-6-4-5-7-20)21-12-13-23-22(17-21)29-24(30(23)2)16-18-8-10-19(11-9-18)26(27)28;/h8-13,17,20H,3-7,14-16H2,1-2H3,(H3,27,28);1H