N-[4-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]oxyphenyl]methanesulfonamide

Systemtic Name: N-[4-[5-[1-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-2-(1-oxidanidylpyridin-1-ium-4-yl)ethyl]pyridin-2-yl]oxyphenyl]methanesulfonamide Openeye Name: N-[4-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]oxy]phenyl]methanesulfonamide CAS Name: N-[4-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridin-1-iumyl)ethyl]-2-pyridinyl]oxy]phenyl]methanesulfonamide IUPAC Name: N-[4-[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]pyridin-2-yl]oxyphenyl]methanesulfonamide Traditional Name: N-[4-[[5-[1-[3,4-bis(difluoromethoxy)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)ethyl]-2-pyridyl]oxy]phenyl]methanesulfonamide Formula: C27H23F4N3O6S MolecularWeight: 593.546633

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=C(C=C1)OC2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F

Isomeric SMILES

CS(=O)(=O)NC1=CC=C(C=C1)OC2=NC=C(C=C2)C(CC3=CC=[N+](C=C3)[O-])C4=CC(=C(C=C4)OC(F)F)OC(F)F

InChI

InChI=1S/C27H23F4N3O6S/c1-41(36,37)33-20-4-6-21(7-5-20)38-25-9-3-19(16-32-25)22(14-17-10-12-34(35)13-11-17)18-2-8-23(39-26(28)29)24(15-18)40-27(30)31/h2-13,15-16,22,26-27,33H,14H2,1H3