N-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[3,5-bis(bromanyl)-2-methyl-4-oxidanyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(3,5-dibromo-4-hydroxy-2-methylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(3,5-dibromo-4-hydroxy-2-methylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(3,5-dibromo-4-hydroxy-2-methyl-phenyl)-3-nitro-benzenesulfonamide Formula: C13H10Br2N2O5S MolecularWeight: 466.1019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Br)O)Br

Isomeric SMILES

CC1=C(C(=C(C=C1NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-])Br)O)Br

InChI

InChI=1S/C13H10Br2N2O5S/c1-7-11(6-10(14)13(18)12(7)15)16-23(21,22)9-4-2-3-8(5-9)17(19)20/h2-6,16,18H,1H3