4-bromanyl-3-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 4-bromanyl-3-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Openeye Name: 4-bromo-3-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid CAS Name: 4-bromo-3-[methyl(3-thiolanyl)sulfamoyl]benzoic acid IUPAC Name: 4-bromo-3-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Traditional Name: 4-bromo-3-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid Formula: C12H14BrNO4S2 MolecularWeight: 380.27786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CN(C1CCSC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C12H14BrNO4S2/c1-14(9-4-5-19-7-9)20(17,18)11-6-8(12(15)16)2-3-10(11)13/h2-3,6,9H,4-5,7H2,1H3,(H,15,16)