2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl 4-tert-butylbenzoate

Systemtic Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl 4-tert-butylbenzoate Openeye Name: 2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]ethyl 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethyl ester IUPAC Name: 2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethyl 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid 2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]ethyl ester Formula: C19H20F3NO4S MolecularWeight: 415.42661

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C19H20F3NO4S/c1-18(2,3)14-6-4-13(5-7-14)17(24)27-10-11-28(25,26)16-9-8-15(12-23-16)19(20,21)22/h4-9,12H,10-11H2,1-3H3