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

Systemtic Name: 3-(3-bromophenyl)-3-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-(3-bromophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid CAS Name: 3-(3-bromophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid IUPAC Name: 3-(3-bromophenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid Traditional Name: 3-(3-bromophenyl)-3-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]propionic acid Formula: C17H15BrN2O6S MolecularWeight: 455.2798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CC(=O)O)C3=CC(=CC=C3)Br)OC1=O

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)NC(CC(=O)O)C3=CC(=CC=C3)Br)OC1=O

InChI

InChI=1S/C17H15BrN2O6S/c1-20-14-6-5-12(8-15(14)26-17(20)23)27(24,25)19-13(9-16(21)22)10-3-2-4-11(18)7-10/h2-8,13,19H,9H2,1H3,(H,21,22)