[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H20FN3O7S MolecularWeight: 465.452103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O7S/c21-15-5-7-16(8-6-15)32(29,30)23-11-9-14(10-12-23)20(26)31-13-19(25)22-17-3-1-2-4-18(17)24(27)28/h1-8,14H,9-13H2,(H,22,25)