(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-(phenylsulfonyl)propanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-(phenylsulfonyl)propanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-(benzenesulfonyl)propanoate CAS Name: 3-(benzenesulfonyl)propanoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-(benzenesulfonyl)propanoate Traditional Name: 3-besylpropionic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H15BrO6S MolecularWeight: 427.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)COC(=O)CCS(=O)(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C17H15BrO6S/c18-14-9-16-15(23-11-24-16)8-12(14)10-22-17(19)6-7-25(20,21)13-4-2-1-3-5-13/h1-5,8-9H,6-7,10-11H2