(4-pyrazol-1-ylphenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C24H27N3O4S/c1-18-4-9-23(16-19(18)2)32(29,30)26-14-10-21(11-15-26)24(28)31-17-20-5-7-22(8-6-20)27-13-3-12-25-27/h3-9,12-13,16,21H,10-11,14-15,17H2,1-2H3