3-(2-dimethylaminoethylsulfonyl)-4-methoxy-benzoic acid

Systemtic Name: 3-(2-dimethylaminoethylsulfonyl)-4-methoxy-benzoic acid Openeye Name: 3-(2-dimethylaminoethylsulfonyl)-4-methoxy-benzoic acid CAS Name: 3-(2-dimethylaminoethylsulfonyl)-4-methoxybenzoic acid IUPAC Name: 3-(2-dimethylaminoethylsulfonyl)-4-methoxybenzoic acid Traditional Name: 3-(2-dimethylaminoethylsulfonyl)-4-methoxy-benzoic acid Formula: C12H17NO5S MolecularWeight: 287.33208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

Isomeric SMILES

CN(C)CCS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C12H17NO5S/c1-13(2)6-7-19(16,17)11-8-9(12(14)15)4-5-10(11)18-3/h4-5,8H,6-7H2,1-3H3,(H,14,15)