methyl 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[[3-tert-butyl-1-(phenylmethyl)-4-pyrazolyl]sulfonyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylisonipecotic acid methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)N2CCC(CC2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4S/c1-21(2,3)19-18(15-23(22-19)14-16-8-6-5-7-9-16)29(26,27)24-12-10-17(11-13-24)20(25)28-4/h5-9,15,17H,10-14H2,1-4H3