2-[(4-ethanoyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[(4-ethanoyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl-methyl-amino]ethanoic acid Openeye Name: 2-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl-methyl-amino]acetic acid CAS Name: 2-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl-methylamino]acetic acid IUPAC Name: 2-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl-methylamino]acetic acid Traditional Name: 2-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl-methyl-amino]acetic acid Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N(C)CC(=O)O

Isomeric SMILES

CC(=O)N1CCOC2=C1C=C(C=C2)S(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C13H16N2O6S/c1-9(16)15-5-6-21-12-4-3-10(7-11(12)15)22(19,20)14(2)8-13(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)