3-fluoranyl-4-[4-[2-(3-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzaldehyde

Systemtic Name: 3-fluoranyl-4-[4-[2-(3-fluorophenyl)-5-methylsulfonyl-phenyl]carbonylpiperazin-1-yl]benzaldehyde Openeye Name: 3-fluoro-4-[4-[2-(3-fluorophenyl)-5-methylsulfonyl-benzoyl]piperazin-1-yl]benzaldehyde CAS Name: 3-fluoro-4-[4-[[2-(3-fluorophenyl)-5-methylsulfonylphenyl]-oxomethyl]-1-piperazinyl]benzaldehyde IUPAC Name: 3-fluoro-4-[4-[2-(3-fluorophenyl)-5-methylsulfonylbenzoyl]piperazin-1-yl]benzaldehyde Traditional Name: 3-fluoro-4-[4-[2-(3-fluorophenyl)-5-mesyl-benzoyl]piperazino]benzaldehyde Formula: C25H22F2N2O4S MolecularWeight: 484.514986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C=O)F

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)F)C(=O)N3CCN(CC3)C4=C(C=C(C=C4)C=O)F

InChI

InChI=1S/C25H22F2N2O4S/c1-34(32,33)20-6-7-21(18-3-2-4-19(26)14-18)22(15-20)25(31)29-11-9-28(10-12-29)24-8-5-17(16-30)13-23(24)27/h2-8,13-16H,9-12H2,1H3