phenyl 2-[[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methyl-methyl-amino]ethanesulfonate

Systemtic Name: phenyl 2-[[3-[bis(fluoranyl)methoxy]-4-methoxy-phenyl]methyl-methyl-amino]ethanesulfonate Openeye Name: phenyl 2-[[3-(difluoromethoxy)-4-methoxy-phenyl]methyl-methyl-amino]ethanesulfonate CAS Name: 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]ethanesulfonate Traditional Name: 2-[[3-(difluoromethoxy)-4-methoxy-benzyl]-methyl-amino]ethanesulfonic acid phenyl ester Formula: C18H21F2NO5S MolecularWeight: 401.424846

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC(=C(C=C2)OC)OC(F)F

Isomeric SMILES

CN(CCS(=O)(=O)OC1=CC=CC=C1)CC2=CC(=C(C=C2)OC)OC(F)F

InChI

InChI=1S/C18H21F2NO5S/c1-21(10-11-27(22,23)26-15-6-4-3-5-7-15)13-14-8-9-16(24-2)17(12-14)25-18(19)20/h3-9,12,18H,10-11,13H2,1-2H3