methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate CAS Name: 3-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H19F3N2O5S2 MolecularWeight: 476.48977

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O5S2/c1-29-18(26)16-15(7-10-30-16)23-17(25)12-5-8-24(9-6-12)31(27,28)14-4-2-3-13(11-14)19(20,21)22/h2-4,7,10-12H,5-6,8-9H2,1H3,(H,23,25)