methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-2-(trifluoromethyl)benzoate

Systemtic Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-2-(trifluoromethyl)benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-5-methylsulfonyl-2-(trifluoromethyl)benzoate CAS Name: 4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonyl-2-(trifluoromethyl)benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-2-(trifluoromethyl)benzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-5-mesyl-2-(trifluoromethyl)benzoic acid methyl ester Formula: C20H27F3N2O6S MolecularWeight: 480.49839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)C(F)(F)F)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)C(F)(F)F)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C20H27F3N2O6S/c1-19(2,3)31-18(27)24-12-6-8-25(9-7-12)15-11-14(20(21,22)23)13(17(26)30-4)10-16(15)32(5,28)29/h10-12H,6-9H2,1-5H3,(H,24,27)