4-ethyl-3-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 4-ethyl-3-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 4-ethyl-3-thiomorpholinosulfonyl-benzoic acid CAS Name: 4-ethyl-3-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 4-ethyl-3-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 4-ethyl-3-thiomorpholinosulfonyl-benzoic acid Formula: C13H17NO4S2 MolecularWeight: 315.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2

InChI

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