N-[3-(2-dimethylaminoethyloxy)-4-iodanyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-(2-dimethylaminoethyloxy)-4-iodanyl-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(2-dimethylaminoethyloxy)-4-iodo-phenyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(2-dimethylaminoethyloxy)-4-iodophenyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(2-dimethylaminoethyloxy)-4-iodophenyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(2-dimethylaminoethyloxy)-4-iodo-phenyl]piazthiole-4-sulfonamide Formula: C16H17IN4O3S2 MolecularWeight: 504.36565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)I

Isomeric SMILES

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=CC3=NSN=C32)I

InChI

InChI=1S/C16H17IN4O3S2/c1-21(2)8-9-24-14-10-11(6-7-12(14)17)20-26(22,23)15-5-3-4-13-16(15)19-25-18-13/h3-7,10,20H,8-9H2,1-2H3