1,3-benzodioxol-5-yl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid 1,3-benzodioxol-5-yl ester Formula: C18H16BrNO7S MolecularWeight: 470.29114

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C18H16BrNO7S/c19-14-3-1-12(9-17(14)28(22,23)20-5-7-24-8-6-20)18(21)27-13-2-4-15-16(10-13)26-11-25-15/h1-4,9-10H,5-8,11H2