methyl 3-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[[4-(2-propylimidazo[4,5-b]pyridin-3-yl)-1-piperidyl]sulfonyl]thiophene-2-carboxylate CAS Name: 3-[[4-(2-propyl-3-imidazo[4,5-b]pyridinyl)-1-piperidinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1C3CCN(CC3)S(=O)(=O)C4=C(SC=C4)C(=O)OC)N=CC=C2

Isomeric SMILES

CCCC1=NC2=C(N1C3CCN(CC3)S(=O)(=O)C4=C(SC=C4)C(=O)OC)N=CC=C2

InChI

InChI=1S/C20H24N4O4S2/c1-3-5-17-22-15-6-4-10-21-19(15)24(17)14-7-11-23(12-8-14)30(26,27)16-9-13-29-18(16)20(25)28-2/h4,6,9-10,13-14H,3,5,7-8,11-12H2,1-2H3