3,4-dimethyl-5-morpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-morpholin-4-ylsulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-morpholinosulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-(4-morpholinylsulfonyl)benzoic acid IUPAC Name: 3,4-dimethyl-5-morpholin-4-ylsulfonylbenzoic acid Traditional Name: 3,4-dimethyl-5-morpholinosulfonyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCOCC2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N2CCOCC2)C

InChI

InChI=1S/C13H17NO5S/c1-9-7-11(13(15)16)8-12(10(9)2)20(17,18)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3,(H,15,16)