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

Systemtic Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitro-benzenesulfonamide CAS Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-nitrobenzenesulfonamide Traditional Name: 2-nitro-N-(5-veratryl-1,3,4-thiadiazol-2-yl)benzenesulfonamide Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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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=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NN=C(S2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N4O6S2/c1-26-13-8-7-11(9-14(13)27-2)10-16-18-19-17(28-16)20-29(24,25)15-6-4-3-5-12(15)21(22)23/h3-9H,10H2,1-2H3,(H,19,20)