N-[3-(2-dimethylaminoethyloxy)-4-iodanyl-phenyl]-4-methoxy-2-nitro-benzenesulfonamide

Systemtic Name: N-[3-(2-dimethylaminoethyloxy)-4-iodanyl-phenyl]-4-methoxy-2-nitro-benzenesulfonamide Openeye Name: N-[3-(2-dimethylaminoethyloxy)-4-iodo-phenyl]-4-methoxy-2-nitro-benzenesulfonamide CAS Name: N-[3-(2-dimethylaminoethyloxy)-4-iodophenyl]-4-methoxy-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-dimethylaminoethyloxy)-4-iodophenyl]-4-methoxy-2-nitrobenzenesulfonamide Traditional Name: N-[3-(2-dimethylaminoethyloxy)-4-iodo-phenyl]-4-methoxy-2-nitro-benzenesulfonamide Formula: C17H20IN3O6S MolecularWeight: 521.32667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-])I

Isomeric SMILES

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=C(C=C(C=C2)OC)[N+](=O)[O-])I

InChI

InChI=1S/C17H20IN3O6S/c1-20(2)8-9-27-16-10-12(4-6-14(16)18)19-28(24,25)17-7-5-13(26-3)11-15(17)21(22)23/h4-7,10-11,19H,8-9H2,1-3H3