(1,3-diphenylpyrazol-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

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