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

Systemtic Name: methyl 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-(p-tolylsulfonyl)piperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate CAS Name: 5-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-7-(trifluoromethyl)-3-thieno[3,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Traditional Name: 5-(4-tosylpiperazino)-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylic acid methyl ester Formula: C21H20F3N3O4S2 MolecularWeight: 499.52641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(C(=C3)C(F)(F)F)SC=C4C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC4=C(C(=C3)C(F)(F)F)SC=C4C(=O)OC

InChI

InChI=1S/C21H20F3N3O4S2/c1-13-3-5-14(6-4-13)33(29,30)27-9-7-26(8-10-27)17-11-16(21(22,23)24)19-18(25-17)15(12-32-19)20(28)31-2/h3-6,11-12H,7-10H2,1-2H3