(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-chloranylpyridin-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-chloranylpyridin-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-[(2-chloro-3-pyridyl)sulfonyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-3-pyridinyl)sulfonyl]-4-piperidinecarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2-chloropyridin-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(2-chloro-3-pyridyl)sulfonyl]isonipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20Cl2N2O6S MolecularWeight: 487.3536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=C(N=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3)S(=O)(=O)C4=C(N=CC=C4)Cl

InChI

InChI=1S/C20H20Cl2N2O6S/c21-15-10-13(11-16-18(15)29-9-8-28-16)12-30-20(25)14-3-6-24(7-4-14)31(26,27)17-2-1-5-23-19(17)22/h1-2,5,10-11,14H,3-4,6-9,12H2