4-[[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylmethyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylmethyl]benzonitrile CAS Name: 4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonylmethyl]benzonitrile IUPAC Name: 4-[[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylmethyl]benzonitrile Traditional Name: 4-[(4-isobutyrylpiperazino)sulfonylmethyl]benzonitrile Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C#N

InChI

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