3,4-dimethyl-5-nitro-N-(2-oxidanylpropyl)benzenesulfonamide

Systemtic Name: 3,4-dimethyl-5-nitro-N-(2-oxidanylpropyl)benzenesulfonamide Openeye Name: N-(2-hydroxypropyl)-3,4-dimethyl-5-nitro-benzenesulfonamide CAS Name: N-(2-hydroxypropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide IUPAC Name: N-(2-hydroxypropyl)-3,4-dimethyl-5-nitrobenzenesulfonamide Traditional Name: N-(2-hydroxypropyl)-3,4-dimethyl-5-nitro-benzenesulfonamide Formula: C11H16N2O5S MolecularWeight: 288.32014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NCC(C)O

Isomeric SMILES

CC1=CC(=CC(=C1C)[N+](=O)[O-])S(=O)(=O)NCC(C)O

InChI

InChI=1S/C11H16N2O5S/c1-7-4-10(5-11(9(7)3)13(15)16)19(17,18)12-6-8(2)14/h4-5,8,12,14H,6H2,1-3H3