(4-bromanyl-2-fluoranyl-phenyl)methyl 3,4-dimethyl-5-sulfamoyl-benzoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3,4-dimethyl-5-sulfamoyl-benzoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3,4-dimethyl-5-sulfamoyl-benzoate CAS Name: 3,4-dimethyl-5-sulfamoylbenzoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3,4-dimethyl-5-sulfamoylbenzoate Traditional Name: 3,4-dimethyl-5-sulfamoyl-benzoic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H15BrFNO4S MolecularWeight: 416.262003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)S(=O)(=O)N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)OCC2=C(C=C(C=C2)Br)F)S(=O)(=O)N)C

InChI

InChI=1S/C16H15BrFNO4S/c1-9-5-12(6-15(10(9)2)24(19,21)22)16(20)23-8-11-3-4-13(17)7-14(11)18/h3-7H,8H2,1-2H3,(H2,19,21,22)