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

Systemtic Name: 3-[4-[(2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]propanoic acid CAS Name: 3-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(3-keto-2-methyl-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]propionic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CC1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C18H18N2O6S/c1-11-18(23)19-15-10-14(7-8-16(15)26-11)27(24,25)20-13-5-2-12(3-6-13)4-9-17(21)22/h2-3,5-8,10-11,20H,4,9H2,1H3,(H,19,23)(H,21,22)