4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-methyl-3-nitro-benzenesulfonamide CAS Name: 4-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-methyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-3-nitrobenzenesulfonamide Traditional Name: 4-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-methyl-3-nitro-benzenesulfonamide Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=C(C=C(C=C2)S(=O)(=O)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S2/c1-8-11(9(2)21-15-8)7-22-13-5-4-10(23(19,20)14-3)6-12(13)16(17)18/h4-6,14H,7H2,1-3H3