2-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Openeye Name: 2-methyl-5-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid CAS Name: 2-methyl-5-[methyl(3-thiolanyl)sulfamoyl]benzoic acid IUPAC Name: 2-methyl-5-[methyl(thiolan-3-yl)sulfamoyl]benzoic acid Traditional Name: 2-methyl-5-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]benzoic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2CCSC2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2CCSC2)C(=O)O

InChI

InChI=1S/C13H17NO4S2/c1-9-3-4-11(7-12(9)13(15)16)20(17,18)14(2)10-5-6-19-8-10/h3-4,7,10H,5-6,8H2,1-2H3,(H,15,16)