4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]thio]-N-methyl-3-nitro-benzenesulfonamide Formula: C18H18N4O6S2 MolecularWeight: 450.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)SC3=C(C=C(C=C3)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O6S2/c1-11-4-5-12(2)15(8-11)27-10-17-20-21-18(28-17)29-16-7-6-13(30(25,26)19-3)9-14(16)22(23)24/h4-9,19H,10H2,1-3H3