methyl 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate

Systemtic Name: methyl 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate CAS Name: 5-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-7-(trifluoromethyl)-3-thieno[3,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Traditional Name: 5-[4-(4-chlorophenyl)sulfonylpiperazino]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylic acid methyl ester Formula: C20H17ClF3N3O4S2 MolecularWeight: 519.94489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CSC2=C1N=C(C=C2C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CSC2=C1N=C(C=C2C(F)(F)F)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClF3N3O4S2/c1-31-19(28)14-11-32-18-15(20(22,23)24)10-16(25-17(14)18)26-6-8-27(9-7-26)33(29,30)13-4-2-12(21)3-5-13/h2-5,10-11H,6-9H2,1H3