4-bromanyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: 4-bromo-N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Formula: C17H16BrN3O4S2 MolecularWeight: 470.36064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C17H16BrN3O4S2/c1-24-14-8-3-11(9-15(14)25-2)10-16-19-20-17(26-16)21-27(22,23)13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,20,21)