N-(1,3-benzodioxol-5-yl)-1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(3-chloranyl-6-fluoranyl-1-benzothiophen-2-yl)carbonyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(3-chloro-6-fluoro-1-benzothiophen-2-yl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-6-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-6-fluoro-benzothiophene-2-carbonyl)isonipecotamide Formula: C22H18ClFN2O4S MolecularWeight: 460.905723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl

InChI

InChI=1S/C22H18ClFN2O4S/c23-19-15-3-1-13(24)9-18(15)31-20(19)22(28)26-7-5-12(6-8-26)21(27)25-14-2-4-16-17(10-14)30-11-29-16/h1-4,9-10,12H,5-8,11H2,(H,25,27)