2-cyclopropylcarbonyl-3-oxidanylidene-3-(2-propan-2-ylsulfonylphenyl)propanenitrile

Systemtic Name: 2-cyclopropylcarbonyl-3-oxidanylidene-3-(2-propan-2-ylsulfonylphenyl)propanenitrile Openeye Name: 2-(cyclopropanecarbonyl)-3-(2-isopropylsulfonylphenyl)-3-oxo-propanenitrile CAS Name: 2-[cyclopropyl(oxo)methyl]-3-oxo-3-(2-propan-2-ylsulfonylphenyl)propanenitrile IUPAC Name: 2-(cyclopropanecarbonyl)-3-oxo-3-(2-propan-2-ylsulfonylphenyl)propanenitrile Traditional Name: 2-(cyclopropanecarbonyl)-3-(2-isopropylsulfonylphenyl)-3-keto-propionitrile Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=CC=C1C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C16H17NO4S/c1-10(2)22(20,21)14-6-4-3-5-12(14)16(19)13(9-17)15(18)11-7-8-11/h3-6,10-11,13H,7-8H2,1-2H3