ethyl 4-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butoxymethyl]benzoate

Systemtic Name: ethyl 4-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butoxymethyl]benzoate Openeye Name: ethyl 4-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butoxymethyl]benzoate CAS Name: 4-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butoxymethyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butoxymethyl]benzoate Traditional Name: 4-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butoxymethyl]benzoic acid ethyl ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)COCCCCNCC(C2=CC(=C(C=C2)O)S(=O)C)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)COCCCCNCC(C2=CC(=C(C=C2)O)S(=O)C)O

InChI

InChI=1S/C23H31NO6S/c1-3-30-23(27)18-8-6-17(7-9-18)16-29-13-5-4-12-24-15-21(26)19-10-11-20(25)22(14-19)31(2)28/h6-11,14,21,24-26H,3-5,12-13,15-16H2,1-2H3