methyl 3-(fluoranylmethyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3-(fluoranylmethyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-3-(fluoromethyl)-5-methylsulfonyl-benzoate CAS Name: 3-(fluoromethyl)-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-(fluoromethyl)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-3-(fluoromethyl)-5-mesyl-benzoic acid methyl ester Formula: C20H29FN2O6S MolecularWeight: 444.517463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)C)C(=O)OC)CF

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2S(=O)(=O)C)C(=O)OC)CF

InChI

InChI=1S/C20H29FN2O6S/c1-20(2,3)29-19(25)22-15-6-8-23(9-7-15)17-14(12-21)10-13(18(24)28-4)11-16(17)30(5,26)27/h10-11,15H,6-9,12H2,1-5H3,(H,22,25)