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

Systemtic Name: 2-[4-(4-oxidanylidenepentanoyl)piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-(4-oxopentanoyl)piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-(1,4-dioxopentyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-(4-oxopentanoyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(4-ketopentanoyl)piperazino]sulfonylbenzonitrile Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-13(20)6-7-16(21)18-8-10-19(11-9-18)24(22,23)15-5-3-2-4-14(15)12-17/h2-5H,6-11H2,1H3