4-[ethyl(2-oxidanylpropyl)amino]-3,5-dinitro-benzenesulfonamide

Systemtic Name: 4-[ethyl(2-oxidanylpropyl)amino]-3,5-dinitro-benzenesulfonamide Openeye Name: 4-[ethyl(2-hydroxypropyl)amino]-3,5-dinitro-benzenesulfonamide CAS Name: 4-[ethyl(2-hydroxypropyl)amino]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-[ethyl(2-hydroxypropyl)amino]-3,5-dinitrobenzenesulfonamide Traditional Name: 4-[ethyl(2-hydroxypropyl)amino]-3,5-dinitro-benzenesulfonamide Formula: C11H16N4O7S MolecularWeight: 348.33234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C)O)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC(C)O)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H16N4O7S/c1-3-13(6-7(2)16)11-9(14(17)18)4-8(23(12,21)22)5-10(11)15(19)20/h4-5,7,16H,3,6H2,1-2H3,(H2,12,21,22)