2-[4-[4-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]sulfonylphenoxy]-4-oxidanyl-butanoic acid

Systemtic Name: 2-[4-[4-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]ethyl]phenyl]sulfonylphenoxy]-4-oxidanyl-butanoic acid Openeye Name: 2-[4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]sulfonylphenoxy]-4-hydroxy-butanoic acid CAS Name: 2-[4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonylphenoxy]-4-hydroxybutanoic acid IUPAC Name: 2-[4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]ethyl]phenyl]sulfonylphenoxy]-4-hydroxybutanoic acid Traditional Name: 2-[4-[4-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]ethyl]phenyl]sulfonylphenoxy]-4-hydroxy-butyric acid Formula: C26H28ClNO7S MolecularWeight: 534.02102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(CNCCC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC(CCO)C(=O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(CNCCC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OC(CCO)C(=O)O)O

InChI

InChI=1S/C26H28ClNO7S/c27-20-3-1-2-19(16-20)24(30)17-28-14-12-18-4-8-22(9-5-18)36(33,34)23-10-6-21(7-11-23)35-25(13-15-29)26(31)32/h1-11,16,24-25,28-30H,12-15,17H2,(H,31,32)