tert-butyl 4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate CAS Name: 4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]-4-pyrazolyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-ethyl-1-[(4-methylsulfonylphenyl)methyl]pyrazol-4-yl]piperidine-1-carboxylate Traditional Name: 4-[3-ethyl-1-(4-mesylbenzyl)pyrazol-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=NN(C=C1C2CCN(CC2)C(=O)OC(C)(C)C)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H33N3O4S/c1-6-21-20(18-11-13-25(14-12-18)22(27)30-23(2,3)4)16-26(24-21)15-17-7-9-19(10-8-17)31(5,28)29/h7-10,16,18H,6,11-15H2,1-5H3