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

Systemtic Name: phenyl 2-[[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl-cyclopropyl-amino]ethanesulfonate Openeye Name: phenyl 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]amino]ethanesulfonate CAS Name: 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]ethanesulfonate Traditional Name: 2-[cyclopropyl-[4-(difluoromethoxy)-3-methoxy-benzyl]amino]ethanesulfonic acid phenyl ester Formula: C20H23F2NO5S MolecularWeight: 427.462126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN(CCS(=O)(=O)OC2=CC=CC=C2)C3CC3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CN(CCS(=O)(=O)OC2=CC=CC=C2)C3CC3)OC(F)F

InChI

InChI=1S/C20H23F2NO5S/c1-26-19-13-15(7-10-18(19)27-20(21)22)14-23(16-8-9-16)11-12-29(24,25)28-17-5-3-2-4-6-17/h2-7,10,13,16,20H,8-9,11-12,14H2,1H3