3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanenitrile

Systemtic Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanenitrile Openeye Name: 3-[4-(p-tolylsulfonyl)piperazin-1-yl]propanenitrile CAS Name: 3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]propanenitrile IUPAC Name: 3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanenitrile Traditional Name: 3-(4-tosylpiperazino)propionitrile Formula: C14H19N3O2S MolecularWeight: 293.38456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-13-3-5-14(6-4-13)20(18,19)17-11-9-16(10-12-17)8-2-7-15/h3-6H,2,8-12H2,1H3