(1-phenylpyrazol-4-yl)methyl (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl (2R)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2R)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl (2R)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2R)-1-besylpipecolinic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@H](C1)C(=O)OCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S/c26-22(29-17-18-15-23-24(16-18)19-9-3-1-4-10-19)21-13-7-8-14-25(21)30(27,28)20-11-5-2-6-12-20/h1-6,9-12,15-16,21H,7-8,13-14,17H2/t21-/m1/s1