3-[1-(4-methylsulfonylphenyl)ethylamino]propanenitrile

Systemtic Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanenitrile Openeye Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanenitrile CAS Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanenitrile IUPAC Name: 3-[1-(4-methylsulfonylphenyl)ethylamino]propanenitrile Traditional Name: 3-[1-(4-mesylphenyl)ethylamino]propionitrile Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)S(=O)(=O)C)NCCC#N

InChI

InChI=1S/C12H16N2O2S/c1-10(14-9-3-8-13)11-4-6-12(7-5-11)17(2,15)16/h4-7,10,14H,3,9H2,1-2H3