(7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cyclopentanecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 1-(3,4-dimethylphenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcyclopentanecarboxylic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C22H23ClO6S MolecularWeight: 450.93242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCC2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4)C

InChI

InChI=1S/C22H23ClO6S/c1-14-5-6-17(9-15(14)2)30(25,26)22(7-3-4-8-22)21(24)27-12-16-10-18(23)20-19(11-16)28-13-29-20/h5-6,9-11H,3-4,7-8,12-13H2,1-2H3