2-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(3-methylbutanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-(4-isovalerylpiperazino)sulfonylbenzonitrile Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-13(2)11-16(20)18-7-9-19(10-8-18)23(21,22)15-6-4-3-5-14(15)12-17/h3-6,13H,7-11H2,1-2H3