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

Systemtic Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonyl-methyl-amino]propanoic acid Openeye Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]sulfonyl-methyl-amino]propanoic acid CAS Name: 3-[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]sulfonyl-methylamino]propanoic acid IUPAC Name: 3-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazol-5-yl]sulfonyl-methylamino]propanoic acid Traditional Name: 3-[[2-(4-amidinophenyl)-1-methyl-benzimidazol-5-yl]sulfonyl-methyl-amino]propionic acid Formula: C19H21N5O4S MolecularWeight: 415.46614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O4S/c1-23(10-9-17(25)26)29(27,28)14-7-8-16-15(11-14)22-19(24(16)2)13-5-3-12(4-6-13)18(20)21/h3-8,11H,9-10H2,1-2H3,(H3,20,21)(H,25,26)