(4-aminocarbonyl-2-nitro-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C20H20FN3O7S MolecularWeight: 465.452103

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H20FN3O7S/c21-16-5-7-17(8-6-16)32(29,30)23-9-1-2-14(11-23)20(26)31-12-15-4-3-13(19(22)25)10-18(15)24(27)28/h3-8,10,14H,1-2,9,11-12H2,(H2,22,25)