2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-(4-fluoranyl-2-methyl-phenyl)sulfonylpiperazin-1-yl]ethanenitrile Openeye Name: 2-[4-(4-fluoro-2-methyl-phenyl)sulfonylpiperazin-1-yl]acetonitrile CAS Name: 2-[4-(4-fluoro-2-methylphenyl)sulfonyl-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]acetonitrile Traditional Name: 2-[4-(4-fluoro-2-methyl-phenyl)sulfonylpiperazino]acetonitrile Formula: C13H16FN3O2S MolecularWeight: 297.348443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC#N

Isomeric SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCN(CC2)CC#N

InChI

InChI=1S/C13H16FN3O2S/c1-11-10-12(14)2-3-13(11)20(18,19)17-8-6-16(5-4-15)7-9-17/h2-3,10H,5-9H2,1H3