6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 6-ethylsulfonyl-4-(p-tolylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 6-ethylsulfonyl-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 6-esyl-4-tosyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C18H19NO7S2 MolecularWeight: 425.47596

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(CN2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)O

InChI

InChI=1S/C18H19NO7S2/c1-3-27(22,23)14-8-9-16-15(10-14)19(11-17(26-16)18(20)21)28(24,25)13-6-4-12(2)5-7-13/h4-10,17H,3,11H2,1-2H3,(H,20,21)