1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenyl-4-pyrazolyl)methyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]isonipecotamide Formula: C22H22F2N4O3S MolecularWeight: 460.496886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CN(CCC1C(=O)NCC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C22H22F2N4O3S/c23-18-6-7-20(24)21(12-18)32(30,31)27-10-8-17(9-11-27)22(29)25-13-16-14-26-28(15-16)19-4-2-1-3-5-19/h1-7,12,14-15,17H,8-11,13H2,(H,25,29)