3,5-bis(bromanyl)-4-nitro-2-[4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-benzenesulfonamide

Systemtic Name: 3,5-bis(bromanyl)-4-nitro-2-[4-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]carbonyl-benzenesulfonamide Openeye Name: 3,5-dibromo-2-[4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]-4-nitro-benzenesulfonamide CAS Name: 3,5-dibromo-2-[[4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]-oxomethyl]-4-nitrobenzenesulfonamide IUPAC Name: 3,5-dibromo-2-[4-(4-hydroxy-3-propan-2-ylphenoxy)benzoyl]-4-nitrobenzenesulfonamide Traditional Name: 3,5-dibromo-2-[4-(4-hydroxy-3-isopropyl-phenoxy)benzoyl]-4-nitro-benzenesulfonamide Formula: C22H18Br2N2O7S MolecularWeight: 614.26052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)C3=C(C(=C(C=C3S(=O)(=O)N)Br)[N+](=O)[O-])Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=CC=C(C=C2)C(=O)C3=C(C(=C(C=C3S(=O)(=O)N)Br)[N+](=O)[O-])Br)O

InChI

InChI=1S/C22H18Br2N2O7S/c1-11(2)15-9-14(7-8-17(15)27)33-13-5-3-12(4-6-13)22(28)19-18(34(25,31)32)10-16(23)21(20(19)24)26(29)30/h3-11,27H,1-2H3,(H2,25,31,32)