methyl 2-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-[(4-fluoranyl-3-nitro-phenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[[4-[(4-fluoro-3-nitro-phenyl)carbamoyl]-1-piperidyl]sulfonyl]benzoate CAS Name: 2-[[4-[(4-fluoro-3-nitroanilino)-oxomethyl]-1-piperidinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-[(4-fluoro-3-nitrophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[(4-fluoro-3-nitro-phenyl)carbamoyl]piperidino]sulfonylbenzoic acid methyl ester Formula: C20H20FN3O7S MolecularWeight: 465.452103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O7S/c1-31-20(26)15-4-2-3-5-18(15)32(29,30)23-10-8-13(9-11-23)19(25)22-14-6-7-16(21)17(12-14)24(27)28/h2-7,12-13H,8-11H2,1H3,(H,22,25)