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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-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)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

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