2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methyl-amino]benzoate

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methyl-amino]benzoate Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)sulfonyl-methyl-amino]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl-methylamino]benzoate IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)sulfonyl-methyl-amino]benzoate Formula: C13H13N2O5S- MolecularWeight: 309.31772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N(C)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C13H14N2O5S/c1-8-12(9(2)20-14-8)21(18,19)15(3)11-7-5-4-6-10(11)13(16)17/h4-7H,1-3H3,(H,16,17)/p-1