methyl 2-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2,4-difluorophenyl)sulfonyl-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2,4-difluorophenyl)sulfonylpiperazino]-5-nitro-benzoic acid methyl ester Formula: C18H17F2N3O6S MolecularWeight: 441.405886

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)F)F

InChI

InChI=1S/C18H17F2N3O6S/c1-29-18(24)14-11-13(23(25)26)3-4-16(14)21-6-8-22(9-7-21)30(27,28)17-5-2-12(19)10-15(17)20/h2-5,10-11H,6-9H2,1H3