4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butanenitrile

Systemtic Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butanenitrile Openeye Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butanenitrile CAS Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]butanenitrile IUPAC Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]butanenitrile Traditional Name: 4-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]butyronitrile Formula: C18H27N3O2S MolecularWeight: 349.49088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CCCC#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CCCC#N)C)C

InChI

InChI=1S/C18H27N3O2S/c1-14-13-15(2)17(4)18(16(14)3)24(22,23)21-11-9-20(10-12-21)8-6-5-7-19/h13H,5-6,8-12H2,1-4H3