[1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(N-methylanilino)-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C22H25FN2O5S MolecularWeight: 448.507703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)N(C)C1=CC=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O5S/c1-16(21(26)24(2)19-6-4-3-5-7-19)30-22(27)17-12-14-25(15-13-17)31(28,29)20-10-8-18(23)9-11-20/h3-11,16-17H,12-15H2,1-2H3