methyl 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[[3-(trifluoromethyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 4-[[3-(trifluoromethyl)-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 4-[3-(trifluoromethyl)piperidino]sulfonylbenzoic acid methyl ester Formula: C14H16F3NO4S MolecularWeight: 351.34135

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(F)(F)F

InChI

InChI=1S/C14H16F3NO4S/c1-22-13(19)10-4-6-12(7-5-10)23(20,21)18-8-2-3-11(9-18)14(15,16)17/h4-7,11H,2-3,8-9H2,1H3