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

Systemtic Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoate hydrochloride Openeye Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoate hydrochloride CAS Name: 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfamoyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 3-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfamoyl]benzoate hydrochloride Traditional Name: 3-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfamoyl]benzoic acid ethyl ester hydrochloride Formula: C25H26ClN5O4S MolecularWeight: 528.02304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=N3)CC4=CC=C(C=C4)C(=N)N)C.Cl

InChI

InChI=1S/C25H25N5O4S.ClH/c1-3-34-25(31)18-5-4-6-20(14-18)35(32,33)29-19-11-12-22-21(15-19)28-23(30(22)2)13-16-7-9-17(10-8-16)24(26)27;/h4-12,14-15,29H,3,13H2,1-2H3,(H3,26,27);1H