N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-nitro-N-pyridin-3-yl-benzenesulfonamide

Systemtic Name: N-[(3,5-ditert-butyl-4-oxidanyl-phenyl)methyl]-3-nitro-N-pyridin-3-yl-benzenesulfonamide Openeye Name: N-[(3,5-ditert-butyl-4-hydroxy-phenyl)methyl]-3-nitro-N-(3-pyridyl)benzenesulfonamide CAS Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-nitro-N-(3-pyridinyl)benzenesulfonamide IUPAC Name: N-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-3-nitro-N-pyridin-3-ylbenzenesulfonamide Traditional Name: N-(3,5-ditert-butyl-4-hydroxy-benzyl)-3-nitro-N-(3-pyridyl)benzenesulfonamide Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C2=CN=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN(C2=CN=CC=C2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O5S/c1-25(2,3)22-13-18(14-23(24(22)30)26(4,5)6)17-28(20-10-8-12-27-16-20)35(33,34)21-11-7-9-19(15-21)29(31)32/h7-16,30H,17H2,1-6H3