5-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpiperidin-1-yl]sulfonylfuran-2-carboxylic acid

Systemtic Name: 5-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpiperidin-1-yl]sulfonylfuran-2-carboxylic acid Openeye Name: 5-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-piperidyl]sulfonyl]furan-2-carboxylic acid CAS Name: 5-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-piperidinyl]sulfonyl]-2-furancarboxylic acid IUPAC Name: 5-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpiperidin-1-yl]sulfonylfuran-2-carboxylic acid Traditional Name: 5-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]piperidino]sulfonyl-2-furoic acid Formula: C24H33NO6S2 MolecularWeight: 495.65192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCN(CC2)S(=O)(=O)C3=CC=C(O3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCN(CC2)S(=O)(=O)C3=CC=C(O3)C(=O)O

InChI

InChI=1S/C24H33NO6S2/c1-23(2,3)17-13-16(14-18(21(17)26)24(4,5)6)32-15-9-11-25(12-10-15)33(29,30)20-8-7-19(31-20)22(27)28/h7-8,13-15,26H,9-12H2,1-6H3,(H,27,28)