3-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]propanenitrile

Systemtic Name: 3-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]propanenitrile Openeye Name: 3-[(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-piperidyl]propanenitrile CAS Name: 3-[(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-piperidinyl]propanenitrile IUPAC Name: 3-[(2S)-1-(3,4-dimethylphenyl)sulfonylpiperidin-2-yl]propanenitrile Traditional Name: 3-[(2S)-1-(3,4-dimethylphenyl)sulfonyl-2-piperidyl]propionitrile Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2CCC#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC[C@H]2CCC#N)C

InChI

InChI=1S/C16H22N2O2S/c1-13-8-9-16(12-14(13)2)21(19,20)18-11-4-3-6-15(18)7-5-10-17/h8-9,12,15H,3-7,11H2,1-2H3/t15-/m0/s1