N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C17H18F2N2O6S MolecularWeight: 416.396426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC(=C(C=C2)OC(F)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NCCC2=CC(=C(C=C2)OC(F)F)OC

InChI

InChI=1S/C17H18F2N2O6S/c1-11-3-5-13(21(22)23)10-16(11)28(24,25)20-8-7-12-4-6-14(27-17(18)19)15(9-12)26-2/h3-6,9-10,17,20H,7-8H2,1-2H3