methyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate

Systemtic Name: methyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate Openeye Name: methyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitro-benzoate CAS Name: 2-[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-5-nitrobenzoate Traditional Name: 2-[4-(2-fluorophenyl)sulfonylpiperazino]-5-nitro-benzoic acid methyl ester Formula: C18H18FN3O6S MolecularWeight: 423.415423

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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=CC=CC=C3F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H18FN3O6S/c1-28-18(23)14-12-13(22(24)25)6-7-16(14)20-8-10-21(11-9-20)29(26,27)17-5-3-2-4-15(17)19/h2-7,12H,8-11H2,1H3