1,3-benzodioxol-5-yl 1-(2-chloranylpyridin-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 1-(2-chloranylpyridin-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotic acid 1,3-benzodioxol-5-yl ester Formula: C18H17ClN2O6S MolecularWeight: 424.85538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6S/c19-17-16(2-1-7-20-17)28(23,24)21-8-5-12(6-9-21)18(22)27-13-3-4-14-15(10-13)26-11-25-14/h1-4,7,10,12H,5-6,8-9,11H2