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

Systemtic Name: ethyl 1-[3-tert-butyl-1-(phenylmethyl)pyrazol-4-yl]sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-(1-benzyl-3-tert-butylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-benzyl-3-tert-butyl-pyrazol-4-yl)sulfonylisonipecotic acid ethyl ester Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)S(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

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