(2,5-dimethylphenyl)methyl 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: (2,5-dimethylphenyl)methyl 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid (2,5-dimethylbenzyl) ester Formula: C16H16BrNO4S MolecularWeight: 398.27154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Br

InChI

InChI=1S/C16H16BrNO4S/c1-10-3-4-11(2)12(7-10)9-22-16(19)14-8-13(23(18,20)21)5-6-15(14)17/h3-8H,9H2,1-2H3,(H2,18,20,21)