3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid hydrochloride

Systemtic Name: 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid hydrochloride Openeye Name: 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoic acid hydrochloride CAS Name: 3-(4-carbamimidoylphenyl)-3-[1-methyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanoic acid hydrochloride IUPAC Name: 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoic acid hydrochloride Traditional Name: 3-(4-amidinophenyl)-3-(1-methyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionic acid hydrochloride Formula: C22H26ClN5O4S MolecularWeight: 491.99094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1C(CC(=O)O)C4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)N=C1C(CC(=O)O)C4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C22H25N5O4S.ClH/c1-26-19-9-8-16(32(30,31)27-10-2-3-11-27)12-18(19)25-22(26)17(13-20(28)29)14-4-6-15(7-5-14)21(23)24;/h4-9,12,17H,2-3,10-11,13H2,1H3,(H3,23,24)(H,28,29);1H