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

Systemtic Name: 2-[[2,4-bis(bromanyl)-3-(4-oxidanyl-3-propan-2-yl-phenoxy)phenyl]amino]benzenesulfonamide Openeye Name: 2-[2,4-dibromo-3-(4-hydroxy-3-isopropyl-phenoxy)anilino]benzenesulfonamide CAS Name: 2-[2,4-dibromo-3-(4-hydroxy-3-propan-2-ylphenoxy)anilino]benzenesulfonamide IUPAC Name: 2-[2,4-dibromo-3-(4-hydroxy-3-propan-2-ylphenoxy)anilino]benzenesulfonamide Traditional Name: 2-[2,4-dibromo-3-(4-hydroxy-3-isopropyl-phenoxy)anilino]benzenesulfonamide Formula: C21H20Br2N2O4S MolecularWeight: 556.2675

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)OC2=C(C=CC(=C2Br)NC3=CC=CC=C3S(=O)(=O)N)Br)O

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)OC2=C(C=CC(=C2Br)NC3=CC=CC=C3S(=O)(=O)N)Br)O

InChI

InChI=1S/C21H20Br2N2O4S/c1-12(2)14-11-13(7-10-18(14)26)29-21-15(22)8-9-17(20(21)23)25-16-5-3-4-6-19(16)30(24,27)28/h3-12,25-26H,1-2H3,(H2,24,27,28)