N-(3-bromanyl-4-oxidanyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(3-bromanyl-4-oxidanyl-phenyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(3-bromo-4-hydroxy-phenyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(3-bromo-4-hydroxyphenyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(3-bromo-4-hydroxyphenyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(3-bromo-4-hydroxy-phenyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C13H11BrN2O5S MolecularWeight: 387.20584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)Br)[N+](=O)[O-]

InChI

InChI=1S/C13H11BrN2O5S/c1-8-2-4-10(7-12(8)16(18)19)22(20,21)15-9-3-5-13(17)11(14)6-9/h2-7,15,17H,1H3