3-[4-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]propanoic acid Openeye Name: 3-[4-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]propanoic acid CAS Name: 3-[4-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]propanoic acid Traditional Name: 3-[4-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]propionic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC3=CC=C(C=C3)CCC(=O)O)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NC3=CC=C(C=C3)CCC(=O)O)OCC(=O)N2

InChI

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