3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile CAS Name: 3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-(4-mesitylsulfonylpiperazino)propionitrile Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-13-11-14(2)16(15(3)12-13)22(20,21)19-9-7-18(8-10-19)6-4-5-17/h11-12H,4,6-10H2,1-3H3