N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide

Systemtic Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonamide Openeye Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide CAS Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(2-oxo-1-pyrrolidinyl)benzenesulfonamide IUPAC Name: N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide Traditional Name: N-[2-(4,5-dimethoxy-2-nitro-phenyl)ethyl]-4-(2-ketopyrrolidino)benzenesulfonamide Formula: C20H23N3O7S MolecularWeight: 449.47752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNS(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O7S/c1-29-18-12-14(17(23(25)26)13-19(18)30-2)9-10-21-31(27,28)16-7-5-15(6-8-16)22-11-3-4-20(22)24/h5-8,12-13,21H,3-4,9-11H2,1-2H3