2,6-ditert-butyl-4-[[1-(phenylsulfonyl)pyrrol-3-yl]methyl]phenol

Systemtic Name: 2,6-ditert-butyl-4-[[1-(phenylsulfonyl)pyrrol-3-yl]methyl]phenol Openeye Name: 4-[[1-(benzenesulfonyl)pyrrol-3-yl]methyl]-2,6-ditert-butyl-phenol CAS Name: 4-[[1-(benzenesulfonyl)-3-pyrrolyl]methyl]-2,6-ditert-butylphenol IUPAC Name: 4-[[1-(benzenesulfonyl)pyrrol-3-yl]methyl]-2,6-ditert-butylphenol Traditional Name: 4-[(1-besylpyrrol-3-yl)methyl]-2,6-ditert-butyl-phenol Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2=CN(C=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3S/c1-24(2,3)21-15-19(16-22(23(21)27)25(4,5)6)14-18-12-13-26(17-18)30(28,29)20-10-8-7-9-11-20/h7-13,15-17,27H,14H2,1-6H3