(4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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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=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H21N3O4S2/c24-20(27-15-16-4-6-18(7-5-16)23-11-2-10-21-23)17-8-12-22(13-9-17)29(25,26)19-3-1-14-28-19/h1-7,10-11,14,17H,8-9,12-13,15H2