2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(5-methylsulfonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-(5-methylsulfonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(5-methylsulfonyl-1H-pyrrol-3-yl)ethanone CAS Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(5-methylsulfonyl-1H-pyrrol-3-yl)ethanone IUPAC Name: 2-(3,5-ditert-butyl-4-hydroxyphenyl)-1-(5-methylsulfonyl-1H-pyrrol-3-yl)ethanone Traditional Name: 2-(3,5-ditert-butyl-4-hydroxy-phenyl)-1-(5-mesyl-1H-pyrrol-3-yl)ethanone Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CNC(=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CNC(=C2)S(=O)(=O)C

InChI

InChI=1S/C21H29NO4S/c1-20(2,3)15-8-13(9-16(19(15)24)21(4,5)6)10-17(23)14-11-18(22-12-14)27(7,25)26/h8-9,11-12,22,24H,10H2,1-7H3