methyl 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3-tert-butyl-1-phenyl-4-pyrazolyl)sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H27N3O4S/c1-20(2,3)18-17(14-23(21-18)16-8-6-5-7-9-16)28(25,26)22-12-10-15(11-13-22)19(24)27-4/h5-9,14-15H,10-13H2,1-4H3