2-[4-[(2S)-1-fluoranyl-1,1-bis(phenylsulfonyl)but-3-en-2-yl]phenyl]-3H-isoindol-1-one

Systemtic Name: 2-[4-[(2S)-1-fluoranyl-1,1-bis(phenylsulfonyl)but-3-en-2-yl]phenyl]-3H-isoindol-1-one Openeye Name: 2-[4-[(1S)-1-[bis(benzenesulfonyl)-fluoro-methyl]allyl]phenyl]isoindolin-1-one CAS Name: 2-[4-[(2S)-1,1-bis(benzenesulfonyl)-1-fluorobut-3-en-2-yl]phenyl]-3H-isoindol-1-one IUPAC Name: 2-[4-[(2S)-1,1-bis(benzenesulfonyl)-1-fluorobut-3-en-2-yl]phenyl]-3H-isoindol-1-one Traditional Name: 2-[4-[(1S)-1-[dibesyl(fluoro)methyl]allyl]phenyl]isoindolin-1-one Formula: C30H24FNO5S2 MolecularWeight: 561.643663

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(F)(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C=C[C@@H](C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(F)(S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H24FNO5S2/c1-2-28(22-17-19-24(20-18-22)32-21-23-11-9-10-16-27(23)29(32)33)30(31,38(34,35)25-12-5-3-6-13-25)39(36,37)26-14-7-4-8-15-26/h2-20,28H,1,21H2/t28-/m0/s1