N-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]-N-phenyl-methanesulfonamide

Systemtic Name: N-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]-N-phenyl-methanesulfonamide Openeye Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butyl]-N-phenyl-methanesulfonamide CAS Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butyl]-N-phenylmethanesulfonamide IUPAC Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butyl]-N-phenylmethanesulfonamide Traditional Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butyl]-N-phenyl-methanesulfonamide Formula: C20H28N2O5S2 MolecularWeight: 440.57672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=C(C=CC(=C1)C(CNCCCCN(C2=CC=CC=C2)S(=O)(=O)C)O)O

Isomeric SMILES

CS(=O)C1=C(C=CC(=C1)C(CNCCCCN(C2=CC=CC=C2)S(=O)(=O)C)O)O

InChI

InChI=1S/C20H28N2O5S2/c1-28(25)20-14-16(10-11-18(20)23)19(24)15-21-12-6-7-13-22(29(2,26)27)17-8-4-3-5-9-17/h3-5,8-11,14,19,21,23-24H,6-7,12-13,15H2,1-2H3