2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]butanoic acid

Systemtic Name: 2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]butanoic acid Openeye Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanoic acid CAS Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanoic acid IUPAC Name: 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]butanoic acid Traditional Name: 2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]butyric acid Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)N(C(=O)O2)C

InChI

InChI=1S/C12H14N2O6S/c1-3-8(11(15)16)13-21(18,19)7-4-5-9-10(6-7)20-12(17)14(9)2/h4-6,8,13H,3H2,1-2H3,(H,15,16)