2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 4-cyanobenzoate

Systemtic Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 4-cyanobenzoate Openeye Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethyl ester Formula: C18H11F6NO4S MolecularWeight: 451.339659

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)OCCS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)OCCS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C18H11F6NO4S/c19-17(20,21)13-7-14(18(22,23)24)9-15(8-13)30(27,28)6-5-29-16(26)12-3-1-11(10-25)2-4-12/h1-4,7-9H,5-6H2