4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-(2-methyl-1-oxopropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(2-methylpropanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-(4-isobutyrylpiperazino)sulfonylbenzonitrile Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-12(2)15(19)17-7-9-18(10-8-17)22(20,21)14-5-3-13(11-16)4-6-14/h3-6,12H,7-10H2,1-2H3