2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]ethanoic acid Openeye Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]acetic acid CAS Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]sulfonylamino]acetic acid IUPAC Name: 2-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]sulfonylamino]acetic acid Traditional Name: 2-[[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]acetic acid Formula: C17H17N5O4S MolecularWeight: 387.41298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NCC(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N5O4S/c1-22-14-7-6-12(27(25,26)20-9-15(23)24)8-13(14)21-17(22)11-4-2-10(3-5-11)16(18)19/h2-8,20H,9H2,1H3,(H3,18,19)(H,23,24)