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

Systemtic Name: [1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-fluoranyl-propan-2-yl] 4-methylbenzenesulfonate Openeye Name: [1-[(1,3-dioxoisoindolin-2-yl)methyl]-2-fluoro-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(1,3-dioxo-2-isoindolyl)-3-fluoropropan-2-yl] ester IUPAC Name: [1-(1,3-dioxoisoindol-2-yl)-3-fluoropropan-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(fluoromethyl)-2-phthalimido-ethyl] ester Formula: C18H16FNO5S MolecularWeight: 377.386743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CN2C(=O)C3=CC=CC=C3C2=O)CF

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CN2C(=O)C3=CC=CC=C3C2=O)CF

InChI

InChI=1S/C18H16FNO5S/c1-12-6-8-14(9-7-12)26(23,24)25-13(10-19)11-20-17(21)15-4-2-3-5-16(15)18(20)22/h2-9,13H,10-11H2,1H3