N-(3-tert-butyl-5-methanoyl-2-oxidanyl-phenyl)-2-[[4-(methylsulfonylamino)phenoxy]sulfinylamino]propanamide

Systemtic Name: N-(3-tert-butyl-5-methanoyl-2-oxidanyl-phenyl)-2-[[4-(methylsulfonylamino)phenoxy]sulfinylamino]propanamide Openeye Name: N-(3-tert-butyl-5-formyl-2-hydroxy-phenyl)-2-[[4-(methanesulfonamido)phenoxy]sulfinylamino]propanamide CAS Name: N-(3-tert-butyl-5-formyl-2-hydroxyphenyl)-2-[[4-(methanesulfonamido)phenoxy]sulfinylamino]propanamide IUPAC Name: N-(3-tert-butyl-5-formyl-2-hydroxyphenyl)-2-[[4-(methanesulfonamido)phenoxy]sulfinylamino]propanamide Traditional Name: N-(3-tert-butyl-5-formyl-2-hydroxy-phenyl)-2-[[4-(methanesulfonamido)phenoxy]sulfinylamino]propionamide Formula: C21H27N3O7S2 MolecularWeight: 497.58498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC(=C1O)C(C)(C)C)C=O)NS(=O)OC2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=CC(=C1O)C(C)(C)C)C=O)NS(=O)OC2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C21H27N3O7S2/c1-13(23-32(28)31-16-8-6-15(7-9-16)24-33(5,29)30)20(27)22-18-11-14(12-25)10-17(19(18)26)21(2,3)4/h6-13,23-24,26H,1-5H3,(H,22,27)