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

Systemtic Name: (2S)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-propanenitrile Openeye Name: (2S)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methyl-propanenitrile CAS Name: (2S)-3-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-methylpropanenitrile IUPAC Name: (2S)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-methylpropanenitrile Traditional Name: (2S)-3-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-methyl-propionitrile Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(C)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C[C@H](C)C#N)C

InChI

InChI=1S/C16H23N3O2S/c1-13(11-17)12-18-6-8-19(9-7-18)22(20,21)16-5-4-14(2)15(3)10-16/h4-5,10,13H,6-9,12H2,1-3H3/t13-/m1/s1