2-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]ethanoic acid Openeye Name: 2-[4-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]phenyl]acetic acid CAS Name: 2-[4-[methyl(3-thiolanyl)sulfamoyl]phenyl]acetic acid IUPAC Name: 2-[4-[methyl(thiolan-3-yl)sulfamoyl]phenyl]acetic acid Traditional Name: 2-[4-[methyl(tetrahydrothiophen-3-yl)sulfamoyl]phenyl]acetic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S2/c1-14(11-6-7-19-9-11)20(17,18)12-4-2-10(3-5-12)8-13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)