N-[3,4-bis(fluoranyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-difluorophenyl)-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-difluorophenyl)-1-(2,5-dimethoxyphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-difluorophenyl)-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-difluorophenyl)-1-(2,5-dimethoxyphenyl)sulfonyl-isonipecotamide Formula: C20H22F2N2O5S MolecularWeight: 440.460886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N2O5S/c1-28-15-4-6-18(29-2)19(12-15)30(26,27)24-9-7-13(8-10-24)20(25)23-14-3-5-16(21)17(22)11-14/h3-6,11-13H,7-10H2,1-2H3,(H,23,25)