3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 3-fluoro-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 3-fluoro-4-(4-tosylpiperazino)benzonitrile Formula: C18H18FN3O2S MolecularWeight: 359.417823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C18H18FN3O2S/c1-14-2-5-16(6-3-14)25(23,24)22-10-8-21(9-11-22)18-7-4-15(13-20)12-17(18)19/h2-7,12H,8-11H2,1H3