2,6-ditert-butyl-4-[4-(2-hydroxyethyl)-1-[5-(hydroxymethyl)-1-methyl-pyrrol-2-yl]sulfonyl-piperidin-4-yl]sulfanyl-phenol

Systemtic Name: 2,6-ditert-butyl-4-[4-(2-hydroxyethyl)-1-[5-(hydroxymethyl)-1-methyl-pyrrol-2-yl]sulfonyl-piperidin-4-yl]sulfanyl-phenol Openeye Name: 2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-[5-(hydroxymethyl)-1-methyl-pyrrol-2-yl]sulfonyl-4-piperidyl]sulfanyl]phenol CAS Name: 2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-[[5-(hydroxymethyl)-1-methyl-2-pyrrolyl]sulfonyl]-4-piperidinyl]thio]phenol IUPAC Name: 2,6-ditert-butyl-4-[4-(2-hydroxyethyl)-1-[5-(hydroxymethyl)-1-methylpyrrol-2-yl]sulfonylpiperidin-4-yl]sulfanylphenol Traditional Name: 2,6-ditert-butyl-4-[[4-(2-hydroxyethyl)-1-(1-methyl-5-methylol-pyrrol-2-yl)sulfonyl-4-piperidyl]thio]phenol Formula: C27H42N2O5S2 MolecularWeight: 538.76278

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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)CO)CCO

Isomeric SMILES

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

InChI

InChI=1S/C27H42N2O5S2/c1-25(2,3)21-16-20(17-22(24(21)32)26(4,5)6)35-27(12-15-30)10-13-29(14-11-27)36(33,34)23-9-8-19(18-31)28(23)7/h8-9,16-17,30-32H,10-15,18H2,1-7H3