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

Systemtic Name: 6-ethylsulfonyl-4-(phenylsulfonyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(benzenesulfonyl)-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(benzenesulfonyl)-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(benzenesulfonyl)-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-besyl-6-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C17H17NO7S2 MolecularWeight: 411.44938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO7S2/c1-2-26(21,22)13-8-9-15-14(10-13)18(11-16(25-15)17(19)20)27(23,24)12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3,(H,19,20)