ethyl 4-(phenylsulfonyl)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 4-(phenylsulfonyl)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 4-(benzenesulfonyl)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate CAS Name: 4-(benzenesulfonyl)-2,6-bis(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(benzenesulfonyl)-2,6-bis(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 4-besyl-2,6-bis(trifluoromethyl)nicotinic acid ethyl ester Formula: C16H11F6NO4S MolecularWeight: 427.318259

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1S(=O)(=O)C2=CC=CC=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1S(=O)(=O)C2=CC=CC=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6NO4S/c1-2-27-14(24)12-10(28(25,26)9-6-4-3-5-7-9)8-11(15(17,18)19)23-13(12)16(20,21)22/h3-8H,2H2,1H3