(2S)-2-(4-methoxyphenyl)-5-oxidanylidene-2-[4-(trifluoromethyl)phenyl]sulfonyl-hexanenitrile

Systemtic Name: (2S)-2-(4-methoxyphenyl)-5-oxidanylidene-2-[4-(trifluoromethyl)phenyl]sulfonyl-hexanenitrile Openeye Name: (2S)-2-(4-methoxyphenyl)-5-oxo-2-[4-(trifluoromethyl)phenyl]sulfonyl-hexanenitrile CAS Name: (2S)-2-(4-methoxyphenyl)-5-oxo-2-[4-(trifluoromethyl)phenyl]sulfonylhexanenitrile IUPAC Name: (2S)-2-(4-methoxyphenyl)-5-oxo-2-[4-(trifluoromethyl)phenyl]sulfonylhexanenitrile Traditional Name: (2S)-5-keto-2-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]sulfonyl-hexanenitrile Formula: C20H18F3NO4S MolecularWeight: 425.42143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C#N)(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(=O)CC[C@@](C#N)(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C20H18F3NO4S/c1-14(25)11-12-19(13-24,15-3-7-17(28-2)8-4-15)29(26,27)18-9-5-16(6-10-18)20(21,22)23/h3-10H,11-12H2,1-2H3/t19-/m1/s1