(4-pyrazol-1-ylphenyl)methyl 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-[2,6-bis(chloranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,6-dichlorophenyl)sulfonylisonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H21Cl2N3O4S MolecularWeight: 494.39084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4S/c23-19-3-1-4-20(24)21(19)32(29,30)26-13-9-17(10-14-26)22(28)31-15-16-5-7-18(8-6-16)27-12-2-11-25-27/h1-8,11-12,17H,9-10,13-15H2