4-(dimethylamino)-2-methylsulfonyl-2-phenyl-butanenitrile chloride

Systemtic Name: 4-(dimethylamino)-2-methylsulfonyl-2-phenyl-butanenitrile chloride Openeye Name: 4-(dimethylamino)-2-methylsulfonyl-2-phenyl-butanenitrile chloride CAS Name: 4-(dimethylamino)-2-methylsulfonyl-2-phenylbutanenitrile chloride IUPAC Name: 4-(dimethylamino)-2-methylsulfonyl-2-phenylbutanenitrile chloride Traditional Name: 4-(dimethylamino)-2-mesyl-2-phenyl-butyronitrile chloride Formula: C13H18ClN2O2S- MolecularWeight: 301.81222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C#N)(C1=CC=CC=C1)S(=O)(=O)C.[Cl-]

Isomeric SMILES

CN(C)CCC(C#N)(C1=CC=CC=C1)S(=O)(=O)C.[Cl-]

InChI

InChI=1S/C13H18N2O2S.ClH/c1-15(2)10-9-13(11-14,18(3,16)17)12-7-5-4-6-8-12;/h4-8H,9-10H2,1-3H3;1H/p-1