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

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(trifluoromethyl)phenyl]methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [2-(trifluoromethyl)phenyl]methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(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=C3C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-15-9-10-17(30(27,28)25-11-5-2-6-12-25)13-18(15)20(26)29-14-16-7-3-4-8-19(16)21(22,23)24/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3