3-[[4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]benzoyl]amino]propionic acid Formula: C18H17N3O7S MolecularWeight: 419.40848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O)OC1=O

InChI

InChI=1S/C18H17N3O7S/c1-21-14-7-6-13(10-15(14)28-18(21)25)29(26,27)20-12-4-2-11(3-5-12)17(24)19-9-8-16(22)23/h2-7,10,20H,8-9H2,1H3,(H,19,24)(H,22,23)