2-[4-bromanyl-2-(methylsulfonylmethyl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile

Systemtic Name: 2-[4-bromanyl-2-(methylsulfonylmethyl)phenyl]carbonyl-3-cyclopropyl-3-oxidanylidene-propanenitrile Openeye Name: 2-[4-bromo-2-(methylsulfonylmethyl)benzoyl]-3-cyclopropyl-3-oxo-propanenitrile CAS Name: 2-[[4-bromo-2-(methylsulfonylmethyl)phenyl]-oxomethyl]-3-cyclopropyl-3-oxopropanenitrile IUPAC Name: 2-[4-bromo-2-(methylsulfonylmethyl)benzoyl]-3-cyclopropyl-3-oxopropanenitrile Traditional Name: 2-[4-bromo-2-(mesylmethyl)benzoyl]-3-cyclopropyl-3-keto-propionitrile Formula: C15H14BrNO4S MolecularWeight: 384.24496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=C(C=CC(=C1)Br)C(=O)C(C#N)C(=O)C2CC2

Isomeric SMILES

CS(=O)(=O)CC1=C(C=CC(=C1)Br)C(=O)C(C#N)C(=O)C2CC2

InChI

InChI=1S/C15H14BrNO4S/c1-22(20,21)8-10-6-11(16)4-5-12(10)15(19)13(7-17)14(18)9-2-3-9/h4-6,9,13H,2-3,8H2,1H3