methyl 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-6-yl]-methylsulfonyl-amino]butanoate

Systemtic Name: methyl 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-6-yl]-methylsulfonyl-amino]butanoate Openeye Name: methyl 4-[[2-(4-carbamimidoylphenyl)-3-methyl-imidazo[4,5-b]pyridin-6-yl]-methylsulfonyl-amino]butanoate CAS Name: 4-[[2-(4-carbamimidoylphenyl)-3-methyl-6-imidazo[4,5-b]pyridinyl]-methylsulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-carbamimidoylphenyl)-3-methylimidazo[4,5-b]pyridin-6-yl]-methylsulfonylamino]butanoate Traditional Name: 4-[[2-(4-amidinophenyl)-3-methyl-imidazo[4,5-b]pyridin-6-yl]-mesyl-amino]butyric acid methyl ester Formula: C20H24N6O4S MolecularWeight: 444.50736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC(=CN=C21)N(CCCC(=O)OC)S(=O)(=O)C)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C(=NC2=CC(=CN=C21)N(CCCC(=O)OC)S(=O)(=O)C)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H24N6O4S/c1-25-19(14-8-6-13(7-9-14)18(21)22)24-16-11-15(12-23-20(16)25)26(31(3,28)29)10-4-5-17(27)30-2/h6-9,11-12H,4-5,10H2,1-3H3,(H3,21,22)