N-(3-ethylphenyl)-3-nitro-4-oxidanyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NS(=O)(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O5S/c1-2-10-4-3-5-11(8-10)15-22(20,21)12-6-7-14(17)13(9-12)16(18)19/h3-9,15,17H,2H2,1H3