1,3-benzodioxol-5-yl 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-(3-chloro-4-fluoro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonylisonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C19H17ClFNO6S MolecularWeight: 441.857783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H17ClFNO6S/c20-15-10-14(2-3-16(15)21)29(24,25)22-7-5-12(6-8-22)19(23)28-13-1-4-17-18(9-13)27-11-26-17/h1-4,9-10,12H,5-8,11H2