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

Systemtic Name: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-nitro-benzenesulfonamide Formula: C17H16N4O7S2 MolecularWeight: 452.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O7S2/c1-11-12(2)18-28-17(11)20-29(24,25)14-9-7-13(8-10-14)19-30(26,27)16-6-4-3-5-15(16)21(22)23/h3-10,19-20H,1-2H3