N-(5-nitro-2-oxidanyl-phenyl)-4-propyl-benzenesulfonamide

Systemtic Name: N-(5-nitro-2-oxidanyl-phenyl)-4-propyl-benzenesulfonamide Openeye Name: N-(2-hydroxy-5-nitro-phenyl)-4-propyl-benzenesulfonamide CAS Name: N-(2-hydroxy-5-nitrophenyl)-4-propylbenzenesulfonamide IUPAC Name: N-(2-hydroxy-5-nitrophenyl)-4-propylbenzenesulfonamide Traditional Name: N-(2-hydroxy-5-nitro-phenyl)-4-propyl-benzenesulfonamide Formula: C15H16N2O5S MolecularWeight: 336.36294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H16N2O5S/c1-2-3-11-4-7-13(8-5-11)23(21,22)16-14-10-12(17(19)20)6-9-15(14)18/h4-10,16,18H,2-3H2,1H3