[4-(4-cyanophenyl)phenyl] 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotic acid [4-(4-cyanophenyl)phenyl] ester Formula: C25H20ClFN2O4S MolecularWeight: 498.953703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C25H20ClFN2O4S/c26-23-15-22(9-10-24(23)27)34(31,32)29-13-11-20(12-14-29)25(30)33-21-7-5-19(6-8-21)18-3-1-17(16-28)2-4-18/h1-10,15,20H,11-14H2