2-[2-butoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-[2-butoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-[2-butoxy-5-(isopropylsulfamoyl)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-[2-butoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-[2-butoxy-5-(propan-2-ylsulfamoyl)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid Traditional Name: 2-[2-butoxy-5-(isopropylsulfamoyl)phenyl]-4-keto-1H-quinazoline-6-carboxylic acid Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C22H25N3O6S/c1-4-5-10-31-19-9-7-15(32(29,30)25-13(2)3)12-17(19)20-23-18-8-6-14(22(27)28)11-16(18)21(26)24-20/h6-9,11-13,25H,4-5,10H2,1-3H3,(H,27,28)(H,23,24,26)