(3-morpholin-4-ylsulfonylphenyl)methyl 2-bromanyl-5-methoxy-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-bromanyl-5-methoxy-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C19H20BrNO6S MolecularWeight: 470.3342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H20BrNO6S/c1-25-15-5-6-18(20)17(12-15)19(22)27-13-14-3-2-4-16(11-14)28(23,24)21-7-9-26-10-8-21/h2-6,11-12H,7-10,13H2,1H3