(3,4-dimethylphenyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (3,4-dimethylphenyl) 4-bromanyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3,4-dimethylphenyl) 4-bromo-3-morpholinosulfonyl-benzoate CAS Name: 4-bromo-3-(4-morpholinylsulfonyl)benzoic acid (3,4-dimethylphenyl) ester IUPAC Name: (3,4-dimethylphenyl) 4-bromo-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-bromo-3-morpholinosulfonyl-benzoic acid (3,4-dimethylphenyl) ester Formula: C19H20BrNO5S MolecularWeight: 454.3348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(=O)C2=CC(=C(C=C2)Br)S(=O)(=O)N3CCOCC3)C

InChI

InChI=1S/C19H20BrNO5S/c1-13-3-5-16(11-14(13)2)26-19(22)15-4-6-17(20)18(12-15)27(23,24)21-7-9-25-10-8-21/h3-6,11-12H,7-10H2,1-2H3