[4-[1-[(4-methoxyphenyl)methoxyamino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl] methanesulfonate

Systemtic Name: [4-[1-[(4-methoxyphenyl)methoxyamino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl] methanesulfonate Openeye Name: [4-[2-[(4-methoxyphenyl)methoxyamino]-1-methyl-2-oxo-ethyl]sulfanylphenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[[1-[(4-methoxyphenyl)methoxyamino]-1-oxopropan-2-yl]thio]phenyl] ester IUPAC Name: [4-[1-[(4-methoxyphenyl)methoxyamino]-1-oxopropan-2-yl]sulfanylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[2-keto-1-methyl-2-(p-anisyloxyamino)ethyl]thio]phenyl] ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NOCC1=CC=C(C=C1)OC)SC2=CC=C(C=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C(=O)NOCC1=CC=C(C=C1)OC)SC2=CC=C(C=C2)OS(=O)(=O)C

InChI

InChI=1S/C18H21NO6S2/c1-13(26-17-10-8-16(9-11-17)25-27(3,21)22)18(20)19-24-12-14-4-6-15(23-2)7-5-14/h4-11,13H,12H2,1-3H3,(H,19,20)