2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(3-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]acetonitrile CAS Name: 2-[4-(3-acetylphenyl)sulfonyl-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]acetonitrile Traditional Name: 2-[4-(3-acetylphenyl)sulfonylpiperazino]acetonitrile Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC#N

InChI

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