2-fluoranyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-(4-mesitylsulfonylpiperazino)benzonitrile Formula: C20H22FN3O2S MolecularWeight: 387.470983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22FN3O2S/c1-14-11-15(2)20(16(3)12-14)27(25,26)24-9-7-23(8-10-24)19-6-4-5-18(21)17(19)13-22/h4-6,11-12H,7-10H2,1-3H3