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

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-1-(3-chloranyl-4-ethoxy-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(2,5-difluorophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-ethoxy-phenyl)sulfonyl-N-(2,5-difluorophenyl)isonipecotamide Formula: C20H21ClF2N2O4S MolecularWeight: 458.906546

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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=CC(=C3)F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClF2N2O4S/c1-2-29-19-6-4-15(12-16(19)21)30(27,28)25-9-7-13(8-10-25)20(26)24-18-11-14(22)3-5-17(18)23/h3-6,11-13H,2,7-10H2,1H3,(H,24,26)