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

Systemtic Name: 2-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[[(4-carbamimidoylphenyl)thio]methyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[[(4-amidinophenyl)thio]methyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C27H24N6O4S2 MolecularWeight: 560.64726

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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=C1CSC5=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=C1CSC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H24N6O4S2/c1-32-22-12-9-19(14-21(22)31-24(32)16-38-20-10-7-18(8-11-20)27(28)29)33(15-25(34)35)39(36,37)23-6-2-4-17-5-3-13-30-26(17)23/h2-14H,15-16H2,1H3,(H3,28,29)(H,34,35)