(4-pyrazol-1-ylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O4S/c1-18-3-9-22(10-4-18)31(28,29)25-15-11-20(12-16-25)23(27)30-17-19-5-7-21(8-6-19)26-14-2-13-24-26/h2-10,13-14,20H,11-12,15-17H2,1H3