4-[(4-methylphenyl)carbonyl-(2-oxidanylidene-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate

Systemtic Name: 4-[(4-methylphenyl)carbonyl-(2-oxidanylidene-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate Openeye Name: 4-[(4-methylbenzoyl)-(2-oxo-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate CAS Name: 4-[[(4-methylphenyl)-oxomethyl]-(2-oxo-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate IUPAC Name: 4-[(4-methylbenzoyl)-(2-oxo-1,3-benzoxathiol-5-yl)sulfamoyl]benzoate Traditional Name: 4-[(2-keto-1,3-benzoxathiol-5-yl)-p-toluoyl-sulfamoyl]benzoate Formula: C22H14NO7S2- MolecularWeight: 468.47906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=O)S3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)OC(=O)S3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H15NO7S2/c1-13-2-4-14(5-3-13)20(24)23(16-8-11-18-19(12-16)31-22(27)30-18)32(28,29)17-9-6-15(7-10-17)21(25)26/h2-12H,1H3,(H,25,26)/p-1