2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-methylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-methylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-methylsulfonyl-amino]acetic acid CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-methylsulfonylamino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-methylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-mesyl-amino]acetic acid Formula: C20H23N5O4S MolecularWeight: 429.49272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C)N=C1CCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C)N=C1CCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H23N5O4S/c1-24-17-9-8-15(25(12-19(26)27)30(2,28)29)11-16(17)23-18(24)10-5-13-3-6-14(7-4-13)20(21)22/h3-4,6-9,11H,5,10,12H2,1-2H3,(H3,21,22)(H,26,27)