2-[2-butan-2-ylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-[2-butan-2-ylsulfonyl-4-(trifluoromethyl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-oxo-3-[2-sec-butylsulfonyl-4-(trifluoromethyl)phenyl]propanenitrile CAS Name: 2-[[2-butan-2-ylsulfonyl-4-(trifluoromethyl)phenyl]-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-[2-butan-2-ylsulfonyl-4-(trifluoromethyl)benzoyl]-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[2-sec-butylsulfonyl-4-(trifluoromethyl)phenyl]propionitrile Formula: C18H18F3NO4S MolecularWeight: 401.40003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)S(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

CCC(C)S(=O)(=O)C1=C(C=CC(=C1)C(F)(F)F)C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C18H18F3NO4S/c1-3-10(2)27(25,26)15-8-12(18(19,20)21)6-7-13(15)17(24)14(9-22)16(23)11-4-5-11/h6-8,10-11,14H,3-5H2,1-2H3