N-(2,5-dimethyl-4-oxidanyl-phenyl)-3-nitro-benzenesulfonamide

Systemtic Name: N-(2,5-dimethyl-4-oxidanyl-phenyl)-3-nitro-benzenesulfonamide Openeye Name: N-(4-hydroxy-2,5-dimethyl-phenyl)-3-nitro-benzenesulfonamide CAS Name: N-(4-hydroxy-2,5-dimethylphenyl)-3-nitrobenzenesulfonamide IUPAC Name: N-(4-hydroxy-2,5-dimethylphenyl)-3-nitrobenzenesulfonamide Traditional Name: N-(4-hydroxy-2,5-dimethyl-phenyl)-3-nitro-benzenesulfonamide Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1O)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1O)C)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-9-7-14(17)10(2)6-13(9)15-22(20,21)12-5-3-4-11(8-12)16(18)19/h3-8,15,17H,1-2H3