8-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid

Systemtic Name: 8-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Openeye Name: 8-methoxy-2-(p-tolylsulfonyloxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid CAS Name: 8-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid IUPAC Name: 8-methoxy-2-[(4-methylphenyl)sulfonyloxymethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Traditional Name: 8-methoxy-2-(tosyloxymethyl)-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C3=C(O2)C(=CC=C3)OC)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(C3=C(O2)C(=CC=C3)OC)C(=O)O

InChI

InChI=1S/C18H19NO7S/c1-12-6-8-14(9-7-12)27(22,23)25-11-13-10-19(18(20)21)15-4-3-5-16(24-2)17(15)26-13/h3-9,13H,10-11H2,1-2H3,(H,20,21)