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

Systemtic Name: 4-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylpiperidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-1-piperidyl]sulfonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-piperidinyl]sulfonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpiperidin-1-yl]sulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Traditional Name: 4-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]piperidino]sulfonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Formula: C26H38N2O5S2 MolecularWeight: 522.72032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1S(=O)(=O)N2CCC(CC2)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1S(=O)(=O)N2CCC(CC2)SC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C)C(=O)O

InChI

InChI=1S/C26H38N2O5S2/c1-15-21(24(30)31)27-16(2)23(15)35(32,33)28-11-9-17(10-12-28)34-18-13-19(25(3,4)5)22(29)20(14-18)26(6,7)8/h13-14,17,27,29H,9-12H2,1-8H3,(H,30,31)