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

Systemtic Name: 2-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(5-carbamimidoyl-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(5-carbamimidoyl-2-thiophenyl)ethyl]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(5-amidino-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C26H24N6O4S2 MolecularWeight: 548.63656

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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=C1CCC5=CC=C(S5)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=C1CCC5=CC=C(S5)C(=N)N

InChI

InChI=1S/C26H24N6O4S2/c1-31-20-10-7-17(14-19(20)30-23(31)12-9-18-8-11-21(37-18)26(27)28)32(15-24(33)34)38(35,36)22-6-2-4-16-5-3-13-29-25(16)22/h2-8,10-11,13-14H,9,12,15H2,1H3,(H3,27,28)(H,33,34)