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

Systemtic Name: methyl 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]cycloheptanecarboxylate CAS Name: 1-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C22H29F3N2O5S MolecularWeight: 490.53627

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H29F3N2O5S/c1-32-20(29)21(11-4-2-3-5-12-21)26-19(28)16-9-13-27(14-10-16)33(30,31)18-8-6-7-17(15-18)22(23,24)25/h6-8,15-16H,2-5,9-14H2,1H3,(H,26,28)