4-iodanyl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-iodanyl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide Openeye Name: 4-iodanyl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide CAS Name: 4-iodanyl-N-[4-methoxy-3-(4-methyl-1-piperazinyl)phenyl]benzenesulfonamide IUPAC Name: 4-iodanyl-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzenesulfonamide Traditional Name: 4-iodanyl-N-[4-methoxy-3-(4-methylpiperazino)phenyl]benzenesulfonamide Formula: C18H22IN3O3S MolecularWeight: 485.355204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)I)OC

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)[125I])OC

InChI

InChI=1S/C18H22IN3O3S/c1-21-9-11-22(12-10-21)17-13-15(5-8-18(17)25-2)20-26(23,24)16-6-3-14(19)4-7-16/h3-8,13,20H,9-12H2,1-2H3/i19-2