4-chloranyl-N-[3-(2-dimethylaminoethyloxy)-4-iodanyl-phenyl]-2,1,3-benzoxadiazole-7-sulfonamide

Systemtic Name: 4-chloranyl-N-[3-(2-dimethylaminoethyloxy)-4-iodanyl-phenyl]-2,1,3-benzoxadiazole-7-sulfonamide Openeye Name: 4-chloro-N-[3-(2-dimethylaminoethyloxy)-4-iodo-phenyl]-2,1,3-benzoxadiazole-7-sulfonamide CAS Name: 4-chloro-N-[3-(2-dimethylaminoethyloxy)-4-iodophenyl]-2,1,3-benzoxadiazole-7-sulfonamide IUPAC Name: 4-chloro-N-[3-(2-dimethylaminoethyloxy)-4-iodophenyl]-2,1,3-benzoxadiazole-7-sulfonamide Traditional Name: 7-chloro-N-[3-(2-dimethylaminoethyloxy)-4-iodo-phenyl]benzofurazan-4-sulfonamide Formula: C16H16ClIN4O4S MolecularWeight: 522.74511

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C3=NON=C23)Cl)I

Isomeric SMILES

CN(C)CCOC1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C3=NON=C23)Cl)I

InChI

InChI=1S/C16H16ClIN4O4S/c1-22(2)7-8-25-13-9-10(3-5-12(13)18)21-27(23,24)14-6-4-11(17)15-16(14)20-26-19-15/h3-6,9,21H,7-8H2,1-2H3