4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(3,3-dimethyl-1-oxobutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-(3,3-dimethylbutanoyl)piperazino]sulfonylbenzonitrile Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-17(2,3)12-16(21)19-8-10-20(11-9-19)24(22,23)15-6-4-14(13-18)5-7-15/h4-7H,8-12H2,1-3H3