2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]ethanone

Systemtic Name: 2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]ethanone Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone Traditional Name: 1-(1-besylpyrrol-3-yl)-2-(3,5-ditert-butyl-4-hydroxy-phenyl)ethanone Formula: C26H31NO4S MolecularWeight: 453.59364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC(=O)C2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO4S/c1-25(2,3)21-14-18(15-22(24(21)29)26(4,5)6)16-23(28)19-12-13-27(17-19)32(30,31)20-10-8-7-9-11-20/h7-15,17,29H,16H2,1-6H3