5-fluoranyl-2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 5-fluoranyl-2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 5-fluoro-2-methyl-4-[4-(p-tolylsulfonyl)piperazin-1-yl]benzonitrile CAS Name: 5-fluoro-2-methyl-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 5-fluoro-2-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 5-fluoro-2-methyl-4-(4-tosylpiperazino)benzonitrile Formula: C19H20FN3O2S MolecularWeight: 373.444403

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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)C#N)F

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN3O2S/c1-14-3-5-17(6-4-14)26(24,25)23-9-7-22(8-10-23)19-11-15(2)16(13-21)12-18(19)20/h3-6,11-12H,7-10H2,1-2H3