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

Systemtic Name: N-[[2,4-bis(fluoranyl)phenyl]methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-[(2,4-difluorophenyl)methyl]-N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2,4-difluorobenzyl)-N-methyl-1-tosyl-isonipecotamide Formula: C21H24F2N2O3S MolecularWeight: 422.488666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C21H24F2N2O3S/c1-15-3-7-19(8-4-15)29(27,28)25-11-9-16(10-12-25)21(26)24(2)14-17-5-6-18(22)13-20(17)23/h3-8,13,16H,9-12,14H2,1-2H3