(4-bromophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Systemtic Name: (4-bromophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Openeye Name: (4-bromophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-pyrrolidinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylic acid (4-bromobenzyl) ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)C(=O)OCC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H20BrNO6S/c21-15-5-3-14(4-6-15)13-28-20(23)17-2-1-9-22(17)29(24,25)16-7-8-18-19(12-16)27-11-10-26-18/h3-8,12,17H,1-2,9-11,13H2