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

Systemtic Name: 2-[4-(4-methylpentanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-methylpentanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(4-methyl-1-oxopentyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-methylpentanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-methylpentanoyl)piperazino]sulfonylbenzonitrile Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-14(2)7-8-17(21)19-9-11-20(12-10-19)24(22,23)16-6-4-3-5-15(16)13-18/h3-6,14H,7-12H2,1-2H3