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

Systemtic Name: 2,6-ditert-butyl-4-[1-[5-(hydroxymethyl)-1-methyl-pyrrol-2-yl]sulfonylpiperidin-4-yl]sulfanyl-phenol Openeye Name: 2,6-ditert-butyl-4-[[1-[5-(hydroxymethyl)-1-methyl-pyrrol-2-yl]sulfonyl-4-piperidyl]sulfanyl]phenol CAS Name: 2,6-ditert-butyl-4-[[1-[[5-(hydroxymethyl)-1-methyl-2-pyrrolyl]sulfonyl]-4-piperidinyl]thio]phenol IUPAC Name: 2,6-ditert-butyl-4-[1-[5-(hydroxymethyl)-1-methylpyrrol-2-yl]sulfonylpiperidin-4-yl]sulfanylphenol Traditional Name: 2,6-ditert-butyl-4-[[1-(1-methyl-5-methylol-pyrrol-2-yl)sulfonyl-4-piperidyl]thio]phenol Formula: C25H38N2O4S2 MolecularWeight: 494.71022

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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=CC=C(N3C)CO

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2CCN(CC2)S(=O)(=O)C3=CC=C(N3C)CO

InChI

InChI=1S/C25H38N2O4S2/c1-24(2,3)20-14-19(15-21(23(20)29)25(4,5)6)32-18-10-12-27(13-11-18)33(30,31)22-9-8-17(16-28)26(22)7/h8-9,14-15,18,28-29H,10-13,16H2,1-7H3