4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butanoic acid hydrochloride

Systemtic Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butanoic acid hydrochloride Openeye Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butanoic acid hydrochloride CAS Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methyl-5-benzimidazolyl]sulfonyl-ethylamino]butanoic acid hydrochloride IUPAC Name: 4-[[2-[(4-carbamimidoylphenyl)methyl]-1-methylbenzimidazol-5-yl]sulfonyl-ethylamino]butanoic acid hydrochloride Traditional Name: 4-[[2-(4-amidinobenzyl)-1-methyl-benzimidazol-5-yl]sulfonyl-ethyl-amino]butyric acid hydrochloride Formula: C22H28ClN5O4S MolecularWeight: 494.00682

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

Isomeric SMILES

CCN(CCCC(=O)O)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CC3=CC=C(C=C3)C(=N)N)C.Cl

InChI

InChI=1S/C22H27N5O4S.ClH/c1-3-27(12-4-5-21(28)29)32(30,31)17-10-11-19-18(14-17)25-20(26(19)2)13-15-6-8-16(9-7-15)22(23)24;/h6-11,14H,3-5,12-13H2,1-2H3,(H3,23,24)(H,28,29);1H