[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [2-keto-1-methyl-2-(p-anisylamino)ethyl] ester Formula: C23H27FN2O6S MolecularWeight: 478.533683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)OC)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H27FN2O6S/c1-16(22(27)25-14-17-5-9-20(31-2)10-6-17)32-23(28)18-4-3-13-26(15-18)33(29,30)21-11-7-19(24)8-12-21/h5-12,16,18H,3-4,13-15H2,1-2H3,(H,25,27)