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

Systemtic Name: 3-[(4-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 3-[(4-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]-3-(4-methoxyphenyl)propionic acid Formula: C21H24N2O7S MolecularWeight: 448.48946

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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=CC=C(C=C3)OC)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-13-12-23(14(2)24)19-10-17(8-9-20(19)30-13)31(27,28)22-18(11-21(25)26)15-4-6-16(29-3)7-5-15/h4-10,13,18,22H,11-12H2,1-3H3,(H,25,26)