N-[2-(4-ethoxyphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide

Systemtic Name: N-[2-(4-ethoxyphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[2-(4-ethoxyphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[2-(4-ethoxyphenoxy)ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[2-(4-ethoxyphenoxy)ethyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[2-(4-ethoxyphenoxy)ethyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C17H19N3O8S MolecularWeight: 425.41306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCNS(=O)(=O)C2=CC(=C(C(=C2)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O8S/c1-3-27-13-4-6-14(7-5-13)28-9-8-18-29(25,26)15-10-16(19(21)22)12(2)17(11-15)20(23)24/h4-7,10-11,18H,3,8-9H2,1-2H3