methyl 5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylthiophene-2-carboxylate

Systemtic Name: methyl 5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonylthiophene-2-carboxylate Openeye Name: methyl 5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]thiophene-2-carboxylate CAS Name: 5-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]thiophene-2-carboxylate Traditional Name: 5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]thiophene-2-carboxylic acid methyl ester Formula: C18H17F3N2O5S2 MolecularWeight: 462.46319

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(S1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O5S2/c1-28-17(25)15-6-5-14(29-15)16(24)22-7-9-23(10-8-22)30(26,27)13-4-2-3-12(11-13)18(19,20)21/h2-6,11H,7-10H2,1H3