4-[[5-chloranyl-2-[2-hydroxyethyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[5-chloranyl-2-[2-hydroxyethyl(phenylsulfonyl)amino]phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-[benzenesulfonyl(2-hydroxyethyl)amino]-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 4-[[2-[besyl(2-hydroxyethyl)amino]-5-chloro-phenoxy]methyl]benzoic acid Formula: C22H20ClNO6S MolecularWeight: 461.9153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CCO)C2=C(C=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CCO)C2=C(C=C(C=C2)Cl)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H20ClNO6S/c23-18-10-11-20(24(12-13-25)31(28,29)19-4-2-1-3-5-19)21(14-18)30-15-16-6-8-17(9-7-16)22(26)27/h1-11,14,25H,12-13,15H2,(H,26,27)