1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide CAS Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-methoxy-3-methyl-phenyl)sulfonyl-N-(2,3,4-trifluorophenyl)isonipecotamide Formula: C20H21F3N2O4S MolecularWeight: 442.45195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F)OC

InChI

InChI=1S/C20H21F3N2O4S/c1-12-11-14(3-6-17(12)29-2)30(27,28)25-9-7-13(8-10-25)20(26)24-16-5-4-15(21)18(22)19(16)23/h3-6,11,13H,7-10H2,1-2H3,(H,24,26)