2-[5-(tert-butylsulfamoyl)-2-propan-2-yloxy-phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-[5-(tert-butylsulfamoyl)-2-propan-2-yloxy-phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-[5-(tert-butylsulfamoyl)-2-isopropoxy-phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-[5-(tert-butylsulfamoyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-[5-(tert-butylsulfamoyl)-2-propan-2-yloxyphenyl]-4-oxo-1H-quinazoline-6-carboxylic acid Traditional Name: 2-[5-(tert-butylsulfamoyl)-2-isopropoxy-phenyl]-4-keto-1H-quinazoline-6-carboxylic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)S(=O)(=O)NC(C)(C)C)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C22H25N3O6S/c1-12(2)31-18-9-7-14(32(29,30)25-22(3,4)5)11-16(18)19-23-17-8-6-13(21(27)28)10-15(17)20(26)24-19/h6-12,25H,1-5H3,(H,27,28)(H,23,24,26)