3,4-dimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

Systemtic Name: 3,4-dimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Openeye Name: 3,4-dimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide CAS Name: 3,4-dimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide IUPAC Name: 3,4-dimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Traditional Name: 3,4-dimethoxy-N-[5-(3-nitrophenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=NN=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H14N4O6S2/c1-25-13-7-6-12(9-14(13)26-2)28(23,24)19-16-18-17-15(27-16)10-4-3-5-11(8-10)20(21)22/h3-9H,1-2H3,(H,18,19)