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

Systemtic Name: methyl 2-methyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]propanoate Openeye Name: methyl 2-methyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate CAS Name: 2-methyl-2-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]propanoate Traditional Name: 2-methyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]propionic acid methyl ester Formula: C18H23F3N2O5S MolecularWeight: 436.44583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H23F3N2O5S/c1-17(2,16(25)28-3)22-15(24)12-7-9-23(10-8-12)29(26,27)14-6-4-5-13(11-14)18(19,20)21/h4-6,11-12H,7-10H2,1-3H3,(H,22,24)