2-(4-methylsulfonylphenyl)-2-(propylamino)propanenitrile

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanenitrile Openeye Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanenitrile CAS Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanenitrile IUPAC Name: 2-(4-methylsulfonylphenyl)-2-(propylamino)propanenitrile Traditional Name: 2-(4-mesylphenyl)-2-(propylamino)propionitrile Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O2S/c1-4-9-15-13(2,10-14)11-5-7-12(8-6-11)18(3,16)17/h5-8,15H,4,9H2,1-3H3