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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)amino]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-(4-carbamimidoylanilino)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-(4-carbamimidoylanilino)-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-(4-carbamimidoylanilino)-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-(4-amidinoanilino)-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C26H23N7O4S MolecularWeight: 529.57032

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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=C1NC5=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=C1NC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C26H23N7O4S/c1-32-21-12-11-19(14-20(21)31-26(32)30-18-9-7-17(8-10-18)25(27)28)33(15-23(34)35)38(36,37)22-6-2-4-16-5-3-13-29-24(16)22/h2-14H,15H2,1H3,(H3,27,28)(H,30,31)(H,34,35)