(4-sulfamoylphenyl)methyl 2-(2-nitrooxyethylsulfanyl)ethanoate

Systemtic Name: (4-sulfamoylphenyl)methyl 2-(2-nitrooxyethylsulfanyl)ethanoate Openeye Name: (4-sulfamoylphenyl)methyl 2-(2-nitrooxyethylsulfanyl)acetate CAS Name: 2-(2-nitrooxyethylthio)acetic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl 2-(2-nitrooxyethylsulfanyl)acetate Traditional Name: 2-(2-nitrooxyethylthio)acetic acid (4-sulfamoylbenzyl) ester Formula: C11H14N2O7S2 MolecularWeight: 350.36806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CSCCO[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CSCCO[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C11H14N2O7S2/c12-22(17,18)10-3-1-9(2-4-10)7-19-11(14)8-21-6-5-20-13(15)16/h1-4H,5-8H2,(H2,12,17,18)