(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20BrNO6S MolecularWeight: 482.3449

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=CC4=C(C=C3Br)OCCO4

InChI

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