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

Systemtic Name: methyl 5-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Openeye Name: methyl 5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate CAS Name: 5-[4-(2,4-difluorophenyl)sulfonyl-1-piperazinyl]-7-(trifluoromethyl)-3-thieno[3,2-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylate Traditional Name: 5-[4-(2,4-difluorophenyl)sulfonylpiperazino]-7-(trifluoromethyl)thieno[3,2-b]pyridine-3-carboxylic acid methyl ester Formula: C20H16F5N3O4S2 MolecularWeight: 521.480756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16F5N3O4S2/c1-32-19(29)12-10-33-18-13(20(23,24)25)9-16(26-17(12)18)27-4-6-28(7-5-27)34(30,31)15-3-2-11(21)8-14(15)22/h2-3,8-10H,4-7H2,1H3