N-(2-methoxyphenyl)-2-[3-(methylsulfonylamino)propylamino]-5-nitro-benzenesulfonamide

Systemtic Name: N-(2-methoxyphenyl)-2-[3-(methylsulfonylamino)propylamino]-5-nitro-benzenesulfonamide Openeye Name: 2-[3-(methanesulfonamido)propylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide CAS Name: 2-[3-(methanesulfonamido)propylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide IUPAC Name: 2-[3-(methanesulfonamido)propylamino]-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide Traditional Name: 2-[3-(methanesulfonamido)propylamino]-N-(2-methoxyphenyl)-5-nitro-benzenesulfonamide Formula: C17H22N4O7S2 MolecularWeight: 458.50918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCNS(=O)(=O)C

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCCNS(=O)(=O)C

InChI

InChI=1S/C17H22N4O7S2/c1-28-16-7-4-3-6-14(16)20-30(26,27)17-12-13(21(22)23)8-9-15(17)18-10-5-11-19-29(2,24)25/h3-4,6-9,12,18-20H,5,10-11H2,1-2H3