[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C22H23F3N2O5S MolecularWeight: 484.48863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H23F3N2O5S/c1-15-8-9-18(33(30,31)27-10-3-2-4-11-27)13-19(15)21(29)32-14-20(28)26-17-7-5-6-16(12-17)22(23,24)25/h5-9,12-13H,2-4,10-11,14H2,1H3,(H,26,28)