3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propanoic acid

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propanoic acid CAS Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]sulfonylamino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]sulfonylamino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]sulfonylamino]propionic acid Formula: C18H19N5O4S MolecularWeight: 401.43956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O4S/c1-23-15-7-6-13(28(26,27)21-9-8-16(24)25)10-14(15)22-18(23)12-4-2-11(3-5-12)17(19)20/h2-7,10,21H,8-9H2,1H3,(H3,19,20)(H,24,25)