N-(3,5-dimethylphenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])C

InChI

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