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

Systemtic Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[5-tert-butyl-2-(4-fluorophenyl)-3-pyrazolyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-1-mesyl-nipecotamide Formula: C20H27FN4O3S MolecularWeight: 422.516783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C2CCCN(C2)S(=O)(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H27FN4O3S/c1-20(2,3)17-12-18(25(23-17)16-9-7-15(21)8-10-16)22-19(26)14-6-5-11-24(13-14)29(4,27)28/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,22,26)