3-(2,5-dimethylphenyl)-3-[(4-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-(2,5-dimethylphenyl)-3-[(4-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(2,5-dimethylphenyl)propanoic acid CAS Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(2,5-dimethylphenyl)propanoic acid IUPAC Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(2,5-dimethylphenyl)propanoic acid Traditional Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(2,5-dimethylphenyl)propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=C(C=CC(=C3)C)C)C(=O)C

Isomeric SMILES

CC1CN(C2=C(O1)C=CC(=C2)S(=O)(=O)NC(CC(=O)O)C3=C(C=CC(=C3)C)C)C(=O)C

InChI

InChI=1S/C22H26N2O6S/c1-13-5-6-14(2)18(9-13)19(11-22(26)27)23-31(28,29)17-7-8-21-20(10-17)24(16(4)25)12-15(3)30-21/h5-10,15,19,23H,11-12H2,1-4H3,(H,26,27)