2-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile

Systemtic Name: 2-[[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonylphenyl]methylsulfonyl]ethanenitrile Openeye Name: 2-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile CAS Name: 2-[[4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]phenyl]methylsulfonyl]acetonitrile IUPAC Name: 2-[[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]methylsulfonyl]acetonitrile Traditional Name: 2-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzyl]sulfonylacetonitrile Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CS(=O)(=O)CC#N)C

InChI

InChI=1S/C22H25N3O3S/c1-17-4-3-5-21(18(17)2)24-11-13-25(14-12-24)22(26)20-8-6-19(7-9-20)16-29(27,28)15-10-23/h3-9H,11-16H2,1-2H3