[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-3-34(30,31)27-15-13-20(14-16-27)25(29)33-18-21-17-28(22-7-5-4-6-8-22)26-24(21)19-9-11-23(32-2)12-10-19/h4-12,17,20H,3,13-16,18H2,1-2H3