3-bromanyl-4-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 3-bromanyl-4-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid Openeye Name: 3-bromo-4-[methyl(2-thienylmethyl)sulfamoyl]benzoic acid CAS Name: 3-bromo-4-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid IUPAC Name: 3-bromo-4-[methyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid Traditional Name: 3-bromo-4-[methyl(2-thenyl)sulfamoyl]benzoic acid Formula: C13H12BrNO4S2 MolecularWeight: 390.27268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

Isomeric SMILES

CN(CC1=CC=CS1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br

InChI

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