N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]-4-pyrazolyl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[1-(2-fluorobenzyl)pyrazol-4-yl]isonipecotamide Formula: C22H23FN4O3S MolecularWeight: 442.506423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CN(N=C2)CC3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CN(N=C2)CC3=CC=CC=C3F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23FN4O3S/c23-21-9-5-4-6-18(21)15-26-16-19(14-24-26)25-22(28)17-10-12-27(13-11-17)31(29,30)20-7-2-1-3-8-20/h1-9,14,16-17H,10-13,15H2,(H,25,28)