N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-[2-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]ethyl]-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-[2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl]-4-methylsulfonyl-2-nitro-aniline CAS Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-4-methylsulfonyl-2-nitroaniline Traditional Name: 2-[4-(difluoromethoxy)-3-methoxy-phenyl]ethyl-(4-mesyl-2-nitro-phenyl)amine Formula: C17H18F2N2O6S MolecularWeight: 416.396426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)CCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-])OC(F)F

InChI

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