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

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-chloranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-chloro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-5-(1-piperidinylsulfonyl)benzoic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-chloro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-piperidinosulfonyl-benzoic acid [3-(trifluoromethyl)benzyl] ester Formula: C20H19ClF3NO4S MolecularWeight: 461.88237

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H19ClF3NO4S/c21-18-8-7-16(30(27,28)25-9-2-1-3-10-25)12-17(18)19(26)29-13-14-5-4-6-15(11-14)20(22,23)24/h4-8,11-12H,1-3,9-10,13H2