[5-[1,3-bis(oxidanylidene)isoindol-2-yl]-1,1,1-tris(fluoranyl)pentan-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[1,3-bis(oxidanylidene)isoindol-2-yl]-1,1,1-tris(fluoranyl)pentan-2-yl] 4-methylbenzenesulfonate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)-1-(trifluoromethyl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-(1,3-dioxo-2-isoindolyl)-1,1,1-trifluoropentan-2-yl] ester IUPAC Name: [5-(1,3-dioxoisoindol-2-yl)-1,1,1-trifluoropentan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-phthalimido-1-(trifluoromethyl)butyl] ester Formula: C20H18F3NO5S MolecularWeight: 441.42083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CCCN2C(=O)C3=CC=CC=C3C2=O)C(F)(F)F

InChI

InChI=1S/C20H18F3NO5S/c1-13-8-10-14(11-9-13)30(27,28)29-17(20(21,22)23)7-4-12-24-18(25)15-5-2-3-6-16(15)19(24)26/h2-3,5-6,8-11,17H,4,7,12H2,1H3