4-bromanyl-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid Openeye Name: 4-bromo-3-[methyl(3-thienylmethyl)sulfamoyl]benzoic acid CAS Name: 4-bromo-3-[methyl(3-thiophenylmethyl)sulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[methyl(thiophen-3-ylmethyl)sulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[methyl(3-thenyl)sulfamoyl]benzoic acid Formula: C13H12BrNO4S2 MolecularWeight: 390.27268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CN(CC1=CSC=C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C13H12BrNO4S2/c1-15(7-9-4-5-20-8-9)21(18,19)12-6-10(13(16)17)2-3-11(12)14/h2-6,8H,7H2,1H3,(H,16,17)