2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]ethanesulfonic acid

Systemtic Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazol-5-yl]carbonylamino]ethanesulfonic acid Openeye Name: 2-[[2-(4-carbamimidoylphenyl)-1-methyl-benzimidazole-5-carbonyl]amino]ethanesulfonic acid CAS Name: 2-[[[2-(4-carbamimidoylphenyl)-1-methyl-5-benzimidazolyl]-oxomethyl]amino]ethanesulfonic acid IUPAC Name: 2-[[2-(4-carbamimidoylphenyl)-1-methylbenzimidazole-5-carbonyl]amino]ethanesulfonic acid Traditional Name: 2-[[2-(4-amidinophenyl)-1-methyl-benzimidazole-5-carbonyl]amino]ethanesulfonic acid Formula: C18H19N5O4S MolecularWeight: 401.43956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NCCS(=O)(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NCCS(=O)(=O)O)N=C1C3=CC=C(C=C3)C(=N)N

InChI

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