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

Systemtic Name: ethyl 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylpiperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-tert-butyl-1-phenyl-pyrazol-4-yl)sulfonylisonipecotic acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-5-28-20(25)16-11-13-23(14-12-16)29(26,27)18-15-24(17-9-7-6-8-10-17)22-19(18)21(2,3)4/h6-10,15-16H,5,11-14H2,1-4H3