3-methylsulfonyl-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzoic acid

Systemtic Name: 3-methylsulfonyl-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzoic acid Openeye Name: 3-methylsulfonyl-4-[4-(2-morpholinoethylsulfamoyl)phenoxy]benzoic acid CAS Name: 3-methylsulfonyl-4-[4-[2-(4-morpholinyl)ethylsulfamoyl]phenoxy]benzoic acid IUPAC Name: 3-methylsulfonyl-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzoic acid Traditional Name: 3-mesyl-4-[4-(2-morpholinoethylsulfamoyl)phenoxy]benzoic acid Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)S(=O)(=O)NCCN3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC2=CC=C(C=C2)S(=O)(=O)NCCN3CCOCC3

InChI

InChI=1S/C20H24N2O8S2/c1-31(25,26)19-14-15(20(23)24)2-7-18(19)30-16-3-5-17(6-4-16)32(27,28)21-8-9-22-10-12-29-13-11-22/h2-7,14,21H,8-13H2,1H3,(H,23,24)