(4-pyrazol-1-ylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C21H22N4O4S MolecularWeight: 426.48878

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4S/c26-21(29-16-17-4-6-19(7-5-17)25-12-2-11-23-25)18-8-13-24(14-9-18)30(27,28)20-3-1-10-22-15-20/h1-7,10-12,15,18H,8-9,13-14,16H2