2-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)ethanenitrile

Systemtic Name: 2-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)ethanenitrile Openeye Name: 2-(2-methylsulfonylisoindolin-5-yl)acetonitrile CAS Name: 2-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)acetonitrile IUPAC Name: 2-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)acetonitrile Traditional Name: 2-(2-mesylisoindolin-5-yl)acetonitrile Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=C(C1)C=C(C=C2)CC#N

Isomeric SMILES

CS(=O)(=O)N1CC2=C(C1)C=C(C=C2)CC#N

InChI

InChI=1S/C11H12N2O2S/c1-16(14,15)13-7-10-3-2-9(4-5-12)6-11(10)8-13/h2-3,6H,4,7-8H2,1H3