N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-ethylsulfonyl-piperidine-4-carboxamide CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-1-ethylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-ethylsulfonylpiperidine-4-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-esyl-isonipecotamide Formula: C21H29FN4O3S MolecularWeight: 436.543363

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC(=NN2C3=CC=C(C=C3)F)C(C)(C)C

InChI

InChI=1S/C21H29FN4O3S/c1-5-30(28,29)25-12-10-15(11-13-25)20(27)23-19-14-18(21(2,3)4)24-26(19)17-8-6-16(22)7-9-17/h6-9,14-15H,5,10-13H2,1-4H3,(H,23,27)