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

Systemtic Name: (3,5-ditert-butyl-4-oxidanyl-phenyl)-[1-(phenylmethyl)sulfonylpyrrol-3-yl]methanone Openeye Name: (1-benzylsulfonylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone CAS Name: (3,5-ditert-butyl-4-hydroxyphenyl)-[1-(phenylmethyl)sulfonyl-3-pyrrolyl]methanone IUPAC Name: (1-benzylsulfonylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxyphenyl)methanone Traditional Name: (1-benzylsulfonylpyrrol-3-yl)-(3,5-ditert-butyl-4-hydroxy-phenyl)methanone 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)C(=O)C2=CN(C=C2)S(=O)(=O)CC3=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)CC3=CC=CC=C3

InChI

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