(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H22ClNO8S MolecularWeight: 495.92998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C22H22ClNO8S/c1-29-22(26)16-4-2-3-5-19(16)33(27,28)24-8-6-15(7-9-24)21(25)30-12-14-10-17(23)20-18(11-14)31-13-32-20/h2-5,10-11,15H,6-9,12-13H2,1H3