N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dimethylisoxazol-5-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dimethyl-5-isoxazolyl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-[(2-nitrophenyl)methylsulfonylamino]benzenesulfonamide Traditional Name: N-(3,4-dimethylisoxazol-5-yl)-4-[(2-nitrobenzyl)sulfonylamino]benzenesulfonamide Formula: C18H18N4O7S2 MolecularWeight: 466.48812

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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)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O7S2/c1-12-13(2)19-29-18(12)21-31(27,28)16-9-7-15(8-10-16)20-30(25,26)11-14-5-3-4-6-17(14)22(23)24/h3-10,20-21H,11H2,1-2H3