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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[1-(phenylsulfonyl)pyrrol-3-yl]methanone Openeye Name: [1-(benzenesulfonyl)pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: [1-(benzenesulfonyl)-3-pyrrolyl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone IUPAC Name: [1-(benzenesulfonyl)pyrrol-3-yl]-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: (1-besylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C25H29NO4S/c1-24(2,3)20-14-18(15-21(23(20)28)25(4,5)6)22(27)17-12-13-26(16-17)31(29,30)19-10-8-7-9-11-19/h7-16,28H,1-6H3