N-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloranyl-2-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(3-chloro-2-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C(=CC=C4)Cl)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=C(C(=CC=C4)Cl)F

InChI

InChI=1S/C19H18ClFN2O5S/c20-14-2-1-3-17(18(14)21)29(25,26)23-8-6-12(7-9-23)19(24)22-13-4-5-15-16(10-13)28-11-27-15/h1-5,10,12H,6-9,11H2,(H,22,24)