N-oxidanyl-1,1-bis(oxidanylidene)-4-[4-(4-propylphenoxy)phenyl]sulfonyl-thiane-4-carboxamide

Systemtic Name: N-oxidanyl-1,1-bis(oxidanylidene)-4-[4-(4-propylphenoxy)phenyl]sulfonyl-thiane-4-carboxamide Openeye Name: 1,1-dioxo-4-[4-(4-propylphenoxy)phenyl]sulfonyl-thiane-4-carbohydroxamic acid CAS Name: N-hydroxy-1,1-dioxo-4-[4-(4-propylphenoxy)phenyl]sulfonyl-4-thianecarboxamide IUPAC Name: N-hydroxy-1,1-dioxo-4-[4-(4-propylphenoxy)phenyl]sulfonylthiane-4-carboxamide Traditional Name: 1,1-diketo-4-[4-(4-propylphenoxy)phenyl]sulfonyl-thiane-4-carbohydroxamic acid Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3(CCS(=O)(=O)CC3)C(=O)NO

Isomeric SMILES

CCCC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)C3(CCS(=O)(=O)CC3)C(=O)NO

InChI

InChI=1S/C21H25NO7S2/c1-2-3-16-4-6-17(7-5-16)29-18-8-10-19(11-9-18)31(27,28)21(20(23)22-24)12-14-30(25,26)15-13-21/h4-11,24H,2-3,12-15H2,1H3,(H,22,23)