5-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfinylpiperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid

Systemtic Name: 5-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfinylpiperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfinyl-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfinyl-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfinylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfinylpiperidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C25H36N2O6S2 MolecularWeight: 524.69314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(N3C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)S(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(N3C)C(=O)O

InChI

InChI=1S/C25H36N2O6S2/c1-24(2,3)18-14-17(15-19(22(18)28)25(4,5)6)34(31)16-10-12-27(13-11-16)35(32,33)21-9-8-20(23(29)30)26(21)7/h8-9,14-16,28H,10-13H2,1-7H3,(H,29,30)