2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(2,2-dimethyl-1-oxopropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-pivaloylpiperazino)sulfonylbenzonitrile Formula: C16H21N3O3S MolecularWeight: 335.42124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C#N

InChI

InChI=1S/C16H21N3O3S/c1-16(2,3)15(20)18-8-10-19(11-9-18)23(21,22)14-7-5-4-6-13(14)12-17/h4-7H,8-11H2,1-3H3