3-[(4-methylsulfonylphenyl)amino]pentanenitrile

Systemtic Name: 3-[(4-methylsulfonylphenyl)amino]pentanenitrile Openeye Name: 3-(4-methylsulfonylanilino)pentanenitrile CAS Name: 3-(4-methylsulfonylanilino)pentanenitrile IUPAC Name: 3-(4-methylsulfonylanilino)pentanenitrile Traditional Name: 3-(4-mesylanilino)valeronitrile Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)NC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCC(CC#N)NC1=CC=C(C=C1)S(=O)(=O)C

InChI

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