2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-bromophenyl)sulfonylcyclopentanecarboxylate CAS Name: 1-(4-bromophenyl)sulfonyl-1-cyclopentanecarboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 1-(4-bromophenyl)sulfonylcyclopentane-1-carboxylate Traditional Name: 1-brosylcyclopentanecarboxylic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C21H21BrO6S MolecularWeight: 481.35684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C(=O)OCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(C1)(C(=O)OCC2COC3=CC=CC=C3O2)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H21BrO6S/c22-15-7-9-17(10-8-15)29(24,25)21(11-3-4-12-21)20(23)27-14-16-13-26-18-5-1-2-6-19(18)28-16/h1-2,5-10,16H,3-4,11-14H2