2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C20H20BrNO7S MolecularWeight: 498.3443

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3COC4=CC=CC=C4O3)Br

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3COC4=CC=CC=C4O3)Br

InChI

InChI=1S/C20H20BrNO7S/c21-16-6-5-14(11-19(16)30(24,25)22-7-9-26-10-8-22)20(23)28-13-15-12-27-17-3-1-2-4-18(17)29-15/h1-6,11,15H,7-10,12-13H2