2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]ethanamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]ethanamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-(4-nosylphenyl)acetamide Formula: C20H19N3O6S2 MolecularWeight: 461.51136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S2/c1-13-19(14(2)29-22-13)11-30-12-20(24)21-15-3-7-17(8-4-15)31(27,28)18-9-5-16(6-10-18)23(25)26/h3-10H,11-12H2,1-2H3,(H,21,24)