methyl 4-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate

Systemtic Name: methyl 4-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate Openeye Name: methyl 4-[4-(1-piperidylsulfonyl)phenyl]-5-(trifluoromethyl)thiophene-2-carboxylate CAS Name: 4-[4-(1-piperidinylsulfonyl)phenyl]-5-(trifluoromethyl)-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-piperidin-1-ylsulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylate Traditional Name: 4-(4-piperidinosulfonylphenyl)-5-(trifluoromethyl)thiophene-2-carboxylic acid methyl ester Formula: C18H18F3NO4S2 MolecularWeight: 433.46503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H18F3NO4S2/c1-26-17(23)15-11-14(16(27-15)18(19,20)21)12-5-7-13(8-6-12)28(24,25)22-9-3-2-4-10-22/h5-8,11H,2-4,9-10H2,1H3