methyl 4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-[4-[(3R)-3-methylpiperidino]sulfonylphenyl]-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C19H20F3NO4S2 MolecularWeight: 447.49161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=C(SC(=C3)C(=O)OC)C(F)(F)F

Isomeric SMILES

C[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=C(SC(=C3)C(=O)OC)C(F)(F)F

InChI

InChI=1S/C19H20F3NO4S2/c1-12-4-3-9-23(11-12)29(25,26)14-7-5-13(6-8-14)15-10-16(18(24)27-2)28-17(15)19(20,21)22/h5-8,10,12H,3-4,9,11H2,1-2H3/t12-/m1/s1