[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-keto-2-[4-(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)C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)N3CCCCC3

InChI

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