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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(4,5-dimethoxy-2-methyl-phenyl)piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4,5-dimethoxy-2-methyl-phenyl)piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4,5-dimethoxy-2-methylphenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4,5-dimethoxy-2-methylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-(4,5-dimethoxy-2-methyl-phenyl)isonipecotamide Formula: C21H24F2N2O5S MolecularWeight: 454.487466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)OC)OC

InChI

InChI=1S/C21H24F2N2O5S/c1-13-10-19(29-2)20(30-3)12-18(13)24-21(26)14-6-8-25(9-7-14)31(27,28)15-4-5-16(22)17(23)11-15/h4-5,10-12,14H,6-9H2,1-3H3,(H,24,26)