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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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