2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Openeye Name: 2-[[3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]phenyl]sulfonylamino]benzoic acid CAS Name: 2-[[3-[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Traditional Name: 2-[[3-[(3,5-dimethylisoxazol-4-yl)sulfonylamino]phenyl]sulfonylamino]benzoic acid Formula: C18H17N3O7S2 MolecularWeight: 451.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H17N3O7S2/c1-11-17(12(2)28-19-11)30(26,27)20-13-6-5-7-14(10-13)29(24,25)21-16-9-4-3-8-15(16)18(22)23/h3-10,20-21H,1-2H3,(H,22,23)