2-(4-propanoylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 2-(4-propanoylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 2-(4-propanoylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 2-[[4-(1-oxopropyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-(4-propanoylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 2-(4-propionylpiperazino)sulfonylbenzonitrile Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-2-14(18)16-7-9-17(10-8-16)21(19,20)13-6-4-3-5-12(13)11-15/h3-6H,2,7-10H2,1H3