4-(3-methylsulfonylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 4-(3-methylsulfonylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(3-methylsulfonylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(3-methylsulfonyl-1-oxopropyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(3-methylsulfonylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(3-mesylpropanoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C13H15NO6S MolecularWeight: 313.3263

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CS(=O)(=O)CCC(=O)N1CC(OC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C13H15NO6S/c1-21(18,19)7-6-12(15)14-8-11(13(16)17)20-10-5-3-2-4-9(10)14/h2-5,11H,6-8H2,1H3,(H,16,17)