2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[[(4-carbamimidoylphenyl)methylamino]methyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[[(4-amidinobenzyl)amino]methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C28H27N7O4S MolecularWeight: 557.62348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CNCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)O)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1CNCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H27N7O4S/c1-34-23-12-11-21(14-22(23)33-25(34)16-31-15-18-7-9-20(10-8-18)28(29)30)35(17-26(36)37)40(38,39)24-6-2-4-19-5-3-13-32-27(19)24/h2-14,31H,15-17H2,1H3,(H3,29,30)(H,36,37)