3,5-bis(bromanyl)-5-nitro-4-[2-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-cyclohexa-1,3-diene-1-sulfonamide

Systemtic Name: 3,5-bis(bromanyl)-5-nitro-4-[2-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-cyclohexa-1,3-diene-1-sulfonamide Openeye Name: 3,5-dibromo-4-[2-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]-5-nitro-cyclohexa-1,3-diene-1-sulfonamide CAS Name: 3,5-dibromo-4-[[2-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]-5-nitro-1-cyclohexa-1,3-dienesulfonamide IUPAC Name: 3,5-dibromo-4-[2-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide Traditional Name: 3,5-dibromo-4-[2-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]-5-nitro-cyclohexa-1,3-diene-1-sulfonamide Formula: C22H20Br2N2O7S MolecularWeight: 616.2764

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=CC=CC=C2C(=O)C3=C(C=C(CC3([N+](=O)[O-])Br)S(=O)(=O)N)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=CC=CC=C2C(=O)C3=C(C=C(CC3([N+](=O)[O-])Br)S(=O)(=O)N)Br)O

InChI

InChI=1S/C22H20Br2N2O7S/c1-12(2)16-9-13(7-8-18(16)27)33-19-6-4-3-5-15(19)21(28)20-17(23)10-14(34(25,31)32)11-22(20,24)26(29)30/h3-10,12,27H,11H2,1-2H3,(H2,25,31,32)