2-[(4-ethanoylpiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4-ethanoylpiperazin-1-yl)sulfonylmethyl]benzenecarbonitrile Openeye Name: 2-[(4-acetylpiperazin-1-yl)sulfonylmethyl]benzonitrile CAS Name: 2-[(4-acetyl-1-piperazinyl)sulfonylmethyl]benzonitrile IUPAC Name: 2-[(4-acetylpiperazin-1-yl)sulfonylmethyl]benzonitrile Traditional Name: 2-[(4-acetylpiperazino)sulfonylmethyl]benzonitrile Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2C#N

InChI

InChI=1S/C14H17N3O3S/c1-12(18)16-6-8-17(9-7-16)21(19,20)11-14-5-3-2-4-13(14)10-15/h2-5H,6-9,11H2,1H3