N-(5-isothiocyanato-2-oxidanyl-phenyl)benzenesulfonamide

Systemtic Name: N-(5-isothiocyanato-2-oxidanyl-phenyl)benzenesulfonamide Openeye Name: N-(2-hydroxy-5-isothiocyanato-phenyl)benzenesulfonamide CAS Name: N-(2-hydroxy-5-isothiocyanatophenyl)benzenesulfonamide IUPAC Name: N-(2-hydroxy-5-isothiocyanatophenyl)benzenesulfonamide Traditional Name: N-(2-hydroxy-5-isothiocyanato-phenyl)benzenesulfonamide Formula: C13H10N2O3S2 MolecularWeight: 306.3601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)N=C=S)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)N=C=S)O

InChI

InChI=1S/C13H10N2O3S2/c16-13-7-6-10(14-9-19)8-12(13)15-20(17,18)11-4-2-1-3-5-11/h1-8,15-16H