[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 1-(4-chloranyl-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 1-(4-chloro-3-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 1-(4-chloro-3-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonylisonipecotic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C22H22ClFN2O7S MolecularWeight: 512.935683

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN2O7S/c23-19-8-7-18(14-20(19)26(29)30)34(31,32)25-11-9-16(10-12-25)22(28)33-13-1-2-21(27)15-3-5-17(24)6-4-15/h3-8,14,16H,1-2,9-13H2