ethyl 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate

Systemtic Name: ethyl 3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-5-nitro-benzoate Openeye Name: ethyl 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoate CAS Name: 3-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitrobenzoate Traditional Name: 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20FN3O7S MolecularWeight: 465.452103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O7S/c1-2-31-20(26)15-10-14(11-17(12-15)24(27)28)19(25)22-6-8-23(9-7-22)32(29,30)18-5-3-4-16(21)13-18/h3-5,10-13H,2,6-9H2,1H3