[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [4-(3,5-dimethyl-1-pyrazolyl)phenyl]methyl ester IUPAC Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [4-(3,5-dimethylpyrazol-1-yl)benzyl] ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CS4)C

InChI

InChI=1S/C22H25N3O4S2/c1-16-14-17(2)25(23-16)20-7-5-18(6-8-20)15-29-22(26)19-9-11-24(12-10-19)31(27,28)21-4-3-13-30-21/h3-8,13-14,19H,9-12,15H2,1-2H3