2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-6-fluoro-benzonitrile Formula: C19H20FN3O2S MolecularWeight: 373.444403

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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

Isomeric SMILES

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

InChI

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