4-fluoranyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-fluoranyl-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzonitrile CAS Name: 4-fluoro-3-[(4-methylsulfonyl-1-piperazinyl)methyl]benzonitrile IUPAC Name: 4-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]benzonitrile Traditional Name: 4-fluoro-3-[(4-mesylpiperazino)methyl]benzonitrile Formula: C13H16FN3O2S MolecularWeight: 297.348443

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=C(C=CC(=C2)C#N)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=C(C=CC(=C2)C#N)F

InChI

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