4-butyl-N-[4-[2-methyl-2-oxidanyl-3-(oxidanylamino)-3-oxidanylidene-propyl]sulfonylphenyl]benzamide

Systemtic Name: 4-butyl-N-[4-[2-methyl-2-oxidanyl-3-(oxidanylamino)-3-oxidanylidene-propyl]sulfonylphenyl]benzamide Openeye Name: 4-butyl-N-[4-[2-hydroxy-3-(hydroxyamino)-2-methyl-3-oxo-propyl]sulfonylphenyl]benzamide CAS Name: 4-butyl-N-[4-[2-hydroxy-3-(hydroxyamino)-2-methyl-3-oxopropyl]sulfonylphenyl]benzamide IUPAC Name: 4-butyl-N-[4-[2-hydroxy-3-(hydroxyamino)-2-methyl-3-oxopropyl]sulfonylphenyl]benzamide Traditional Name: 4-butyl-N-[4-[2-hydroxy-3-(hydroxyamino)-3-keto-2-methyl-propyl]sulfonylphenyl]benzamide Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(C)(C(=O)NO)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)CC(C)(C(=O)NO)O

InChI

InChI=1S/C21H26N2O6S/c1-3-4-5-15-6-8-16(9-7-15)19(24)22-17-10-12-18(13-11-17)30(28,29)14-21(2,26)20(25)23-27/h6-13,26-27H,3-5,14H2,1-2H3,(H,22,24)(H,23,25)