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

Systemtic Name: N-[4-[[2-(3-methylsulfinyl-4-oxidanyl-phenyl)-2-oxidanyl-ethyl]amino]butyl]-N-phenyl-ethanamide Openeye Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butyl]-N-phenyl-acetamide CAS Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butyl]-N-phenylacetamide IUPAC Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinylphenyl)ethyl]amino]butyl]-N-phenylacetamide Traditional Name: N-[4-[[2-hydroxy-2-(4-hydroxy-3-methylsulfinyl-phenyl)ethyl]amino]butyl]-N-phenyl-acetamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CCCCNCC(C1=CC(=C(C=C1)O)S(=O)C)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N(CCCCNCC(C1=CC(=C(C=C1)O)S(=O)C)O)C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4S/c1-16(24)23(18-8-4-3-5-9-18)13-7-6-12-22-15-20(26)17-10-11-19(25)21(14-17)28(2)27/h3-5,8-11,14,20,22,25-26H,6-7,12-13,15H2,1-2H3