[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-4-(phenylmethoxyamino)butan-2-yl] methanesulfonate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-4-(phenylmethoxyamino)butan-2-yl] methanesulfonate Openeye Name: [3-(benzyloxyamino)-2-(1,3-dioxoisoindolin-2-yl)-1-methyl-3-oxo-propyl] methanesulfonate CAS Name: methanesulfonic acid [3-(1,3-dioxo-2-isoindolyl)-4-oxo-4-(phenylmethoxyamino)butan-2-yl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)-4-oxo-4-(phenylmethoxyamino)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(benzoxyamino)-3-keto-1-methyl-2-phthalimido-propyl] ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NOCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)OS(=O)(=O)C

Isomeric SMILES

CC(C(C(=O)NOCC1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2=O)OS(=O)(=O)C

InChI

InChI=1S/C20H20N2O7S/c1-13(29-30(2,26)27)17(18(23)21-28-12-14-8-4-3-5-9-14)22-19(24)15-10-6-7-11-16(15)20(22)25/h3-11,13,17H,12H2,1-2H3,(H,21,23)