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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,4-dimethylphenyl)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-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,4-dimethylphenyl)sulfonylisonipecotic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C23H26ClNO6S MolecularWeight: 479.97364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4)C

InChI

InChI=1S/C23H26ClNO6S/c1-15-3-4-21(16(2)11-15)32(27,28)25-7-5-18(6-8-25)23(26)31-14-17-12-19(24)22-20(13-17)29-9-10-30-22/h3-4,11-13,18H,5-10,14H2,1-2H3