[3-(trifluoromethyl)phenyl]methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22F3NO4S/c1-15-8-9-17(13-19(15)30(27,28)25-10-3-2-4-11-25)20(26)29-14-16-6-5-7-18(12-16)21(22,23)24/h5-9,12-13H,2-4,10-11,14H2,1H3