5-chloranyl-3-(2-dimethylaminoethylsulfonyl)-2-methoxy-benzoic acid

Systemtic Name: 5-chloranyl-3-(2-dimethylaminoethylsulfonyl)-2-methoxy-benzoic acid Openeye Name: 5-chloro-3-(2-dimethylaminoethylsulfonyl)-2-methoxy-benzoic acid CAS Name: 5-chloro-3-(2-dimethylaminoethylsulfonyl)-2-methoxybenzoic acid IUPAC Name: 5-chloro-3-(2-dimethylaminoethylsulfonyl)-2-methoxybenzoic acid Traditional Name: 5-chloro-3-(2-dimethylaminoethylsulfonyl)-2-methoxy-benzoic acid Formula: C12H16ClNO5S MolecularWeight: 321.77714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNO5S/c1-14(2)4-5-20(17,18)10-7-8(13)6-9(12(15)16)11(10)19-3/h6-7H,4-5H2,1-3H3,(H,15,16)