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

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)-1-[1-(phenylsulfonyl)pyrrol-3-yl]propan-1-one Openeye Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one CAS Name: 1-[1-(benzenesulfonyl)-3-pyrrolyl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-propanone IUPAC Name: 1-[1-(benzenesulfonyl)pyrrol-3-yl]-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one Traditional Name: 1-(1-besylpyrrol-3-yl)-3-(3,5-ditert-butyl-4-hydroxy-phenyl)propan-1-one Formula: C27H33NO4S MolecularWeight: 467.62022

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H33NO4S/c1-26(2,3)22-16-19(17-23(25(22)30)27(4,5)6)12-13-24(29)20-14-15-28(18-20)33(31,32)21-10-8-7-9-11-21/h7-11,14-18,30H,12-13H2,1-6H3