4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]butanenitrile Traditional Name: 4-[4-(2,4-dimethylphenyl)sulfonylpiperazino]butyronitrile Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-14-5-6-16(15(2)13-14)22(20,21)19-11-9-18(10-12-19)8-4-3-7-17/h5-6,13H,3-4,8-12H2,1-2H3