(4-tert-butylphenyl)methyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]isonipecotic acid (4-tert-butylbenzyl) ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C(=NN1)C)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H31N3O4S/c1-15-20(16(2)24-23-15)30(27,28)25-12-10-18(11-13-25)21(26)29-14-17-6-8-19(9-7-17)22(3,4)5/h6-9,18H,10-14H2,1-5H3,(H,23,24)