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

Systemtic Name: 2-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpiperidin-1-yl]sulfonyl-1H-imidazole-5-carboxylic acid Openeye Name: 2-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-piperidyl]sulfonyl]-1H-imidazole-5-carboxylic acid CAS Name: 2-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-piperidinyl]sulfonyl]-1H-imidazole-5-carboxylic acid IUPAC Name: 2-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpiperidin-1-yl]sulfonyl-1H-imidazole-5-carboxylic acid Traditional Name: 2-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]piperidino]sulfonyl-1H-imidazole-5-carboxylic acid Formula: C23H33N3O5S2 MolecularWeight: 495.65522

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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=NC=C(N3)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCN(CC2)S(=O)(=O)C3=NC=C(N3)C(=O)O

InChI

InChI=1S/C23H33N3O5S2/c1-22(2,3)16-11-15(12-17(19(16)27)23(4,5)6)32-14-7-9-26(10-8-14)33(30,31)21-24-13-18(25-21)20(28)29/h11-14,27H,7-10H2,1-6H3,(H,24,25)(H,28,29)