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

Systemtic Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-[2,3,4-tris(fluoranyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide CAS Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(4-ethoxy-3-methylphenyl)sulfonyl-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(4-ethoxy-3-methyl-phenyl)sulfonyl-N-(2,3,4-trifluorophenyl)isonipecotamide Formula: C21H23F3N2O4S MolecularWeight: 456.47853

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C(=C(C=C3)F)F)F)C

InChI

InChI=1S/C21H23F3N2O4S/c1-3-30-18-7-4-15(12-13(18)2)31(28,29)26-10-8-14(9-11-26)21(27)25-17-6-5-16(22)19(23)20(17)24/h4-7,12,14H,3,8-11H2,1-2H3,(H,25,27)