N-(3-tert-butyl-5-methanoyl-2-oxidanyl-phenyl)-N'-phenoxysulfinyl-butanediamide

Systemtic Name: N-(3-tert-butyl-5-methanoyl-2-oxidanyl-phenyl)-N'-phenoxysulfinyl-butanediamide Openeye Name: N-(3-tert-butyl-5-formyl-2-hydroxy-phenyl)-N'-phenoxysulfinyl-butanediamide CAS Name: N-(3-tert-butyl-5-formyl-2-hydroxyphenyl)-N'-phenoxysulfinylbutanediamide IUPAC Name: N-(3-tert-butyl-5-formyl-2-hydroxyphenyl)-N'-phenoxysulfinylbutanediamide Traditional Name: N-(3-tert-butyl-5-formyl-2-hydroxy-phenyl)-N'-phenoxysulfinyl-succinamide Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=CC(=C1)C=O)NC(=O)CCC(=O)NS(=O)OC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)C=O)NC(=O)CCC(=O)NS(=O)OC2=CC=CC=C2)O

InChI

InChI=1S/C21H24N2O6S/c1-21(2,3)16-11-14(13-24)12-17(20(16)27)22-18(25)9-10-19(26)23-30(28)29-15-7-5-4-6-8-15/h4-8,11-13,27H,9-10H2,1-3H3,(H,22,25)(H,23,26)