methyl 3-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: methyl 3-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(3,4-difluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3,4-difluorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic acid methyl ester Formula: C19H17F2N3O7S MolecularWeight: 469.415986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17F2N3O7S/c1-31-19(26)13-8-12(9-14(10-13)24(27)28)18(25)22-4-6-23(7-5-22)32(29,30)15-2-3-16(20)17(21)11-15/h2-3,8-11H,4-7H2,1H3