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

Systemtic Name: 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]benzoic acid Openeye Name: 4-[[(3,5-dimethylisoxazol-4-yl)sulfonylamino]methyl]benzoic acid CAS Name: 4-[[(3,5-dimethyl-4-isoxazolyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(3,5-dimethylisoxazol-4-yl)sulfonylamino]methyl]benzoic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-8-12(9(2)20-15-8)21(18,19)14-7-10-3-5-11(6-4-10)13(16)17/h3-6,14H,7H2,1-2H3,(H,16,17)