N,N-diethyl-3-nitro-4-[4-(3-oxidanylidenebutyl)phenoxy]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[4-(3-oxidanylidenebutyl)phenoxy]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[4-(3-oxobutyl)phenoxy]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-(3-oxobutyl)phenoxy]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[4-(3-oxobutyl)phenoxy]benzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(3-ketobutyl)phenoxy]-3-nitro-benzenesulfonamide Formula: C20H24N2O6S MolecularWeight: 420.47936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CCC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)CCC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O6S/c1-4-21(5-2)29(26,27)18-12-13-20(19(14-18)22(24)25)28-17-10-8-16(9-11-17)7-6-15(3)23/h8-14H,4-7H2,1-3H3