3-[4-[(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]phenyl]propionic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O)C(=O)N

InChI

InChI=1S/C18H18N2O6S/c19-18(23)16-11-20(14-3-1-2-4-15(14)26-16)27(24,25)13-8-5-12(6-9-13)7-10-17(21)22/h1-6,8-9,16H,7,10-11H2,(H2,19,23)(H,21,22)