2-[6-[4,4-bis(fluoranyl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-5-ethylsulfonyl-aniline

Systemtic Name: 2-[6-[4,4-bis(fluoranyl)piperidin-1-yl]-5-nitro-pyrimidin-4-yl]oxy-5-ethylsulfonyl-aniline Openeye Name: 2-[6-(4,4-difluoro-1-piperidyl)-5-nitro-pyrimidin-4-yl]oxy-5-ethylsulfonyl-aniline CAS Name: 2-[[6-(4,4-difluoro-1-piperidinyl)-5-nitro-4-pyrimidinyl]oxy]-5-ethylsulfonylaniline IUPAC Name: 2-[6-(4,4-difluoropiperidin-1-yl)-5-nitropyrimidin-4-yl]oxy-5-ethylsulfonylaniline Traditional Name: [2-[6-(4,4-difluoropiperidino)-5-nitro-pyrimidin-4-yl]oxy-5-esyl-phenyl]amine Formula: C17H19F2N5O5S MolecularWeight: 443.425066

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(F)F)N

Isomeric SMILES

CCS(=O)(=O)C1=CC(=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N3CCC(CC3)(F)F)N

InChI

InChI=1S/C17H19F2N5O5S/c1-2-30(27,28)11-3-4-13(12(20)9-11)29-16-14(24(25)26)15(21-10-22-16)23-7-5-17(18,19)6-8-23/h3-4,9-10H,2,5-8,20H2,1H3