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

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 4-(4-chlorophenyl)sulfonyl-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 4-(4-chlorophenyl)sulfonyl-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 4-(4-chlorophenyl)sulfonyl-6-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 4-(4-chlorophenyl)sulfonyl-6-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C17H16ClNO7S2 MolecularWeight: 445.89444

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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)Cl)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClNO7S2/c1-2-27(22,23)13-7-8-15-14(9-13)19(10-16(26-15)17(20)21)28(24,25)12-5-3-11(18)4-6-12/h3-9,16H,2,10H2,1H3,(H,20,21)