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

Systemtic Name: 5-[4-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanyl-4-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Openeye Name: 5-[[4-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanyl-4-(2-hydroxyethyl)-1-piperidyl]sulfonyl]-1-methyl-pyrrole-2-carboxylic acid CAS Name: 5-[[4-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-4-(2-hydroxyethyl)-1-piperidinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid IUPAC Name: 5-[4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanyl-4-(2-hydroxyethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylic acid Traditional Name: 5-[4-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]-4-(2-hydroxyethyl)piperidino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid Formula: C27H40N2O6S2 MolecularWeight: 552.7463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2(CCN(CC2)S(=O)(=O)C3=CC=C(N3C)C(=O)O)CCO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2(CCN(CC2)S(=O)(=O)C3=CC=C(N3C)C(=O)O)CCO

InChI

InChI=1S/C27H40N2O6S2/c1-25(2,3)19-16-18(17-20(23(19)31)26(4,5)6)36-27(12-15-30)10-13-29(14-11-27)37(34,35)22-9-8-21(24(32)33)28(22)7/h8-9,16-17,30-31H,10-15H2,1-7H3,(H,32,33)