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

Systemtic Name: N-[3,4-bis(fluoranyl)phenyl]-1-(4-ethoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3,4-difluorophenyl)-1-(4-ethoxy-3-methyl-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3,4-difluorophenyl)-1-(4-ethoxy-3-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3,4-difluorophenyl)-1-(4-ethoxy-3-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3,4-difluorophenyl)-1-(4-ethoxy-3-methyl-phenyl)sulfonyl-isonipecotamide Formula: C21H24F2N2O4S MolecularWeight: 438.488066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F2N2O4S/c1-3-29-20-7-5-17(12-14(20)2)30(27,28)25-10-8-15(9-11-25)21(26)24-16-4-6-18(22)19(23)13-16/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,24,26)