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

Systemtic Name: methyl 2-[[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoate Openeye Name: methyl 2-[[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetate CAS Name: 2-[[2-[(4-carbamimidoylphenyl)methylthio]-1-methyl-5-benzimidazolyl]-(8-quinolinylsulfonyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[(4-carbamimidoylphenyl)methylsulfanyl]-1-methylbenzimidazol-5-yl]-quinolin-8-ylsulfonylamino]acetate Traditional Name: 2-[[2-[(4-amidinobenzyl)thio]-1-methyl-benzimidazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid methyl ester Formula: C28H26N6O4S2 MolecularWeight: 574.67384

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1SCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC(=O)OC)S(=O)(=O)C3=CC=CC4=C3N=CC=C4)N=C1SCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H26N6O4S2/c1-33-23-13-12-21(15-22(23)32-28(33)39-17-18-8-10-20(11-9-18)27(29)30)34(16-25(35)38-2)40(36,37)24-7-3-5-19-6-4-14-31-26(19)24/h3-15H,16-17H2,1-2H3,(H3,29,30)