N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[1-(2-chloro-4-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]-1-mesyl-isonipecotamide Formula: C19H24ClFN4O3S MolecularWeight: 442.935263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)NC(=O)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=C(C=C2)F)Cl)C)NC(=O)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C19H24ClFN4O3S/c1-12-18(22-19(26)14-6-8-24(9-7-14)29(3,27)28)13(2)25(23-12)11-15-4-5-16(21)10-17(15)20/h4-5,10,14H,6-9,11H2,1-3H3,(H,22,26)