butyl 2-[4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]thio]acetic acid butyl ester Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C22H25N3O5S2/c1-2-3-14-30-20(26)15-31-22-24-19-7-5-4-6-18(19)21(27)25(22)13-12-16-8-10-17(11-9-16)32(23,28)29/h4-11H,2-3,12-15H2,1H3,(H2,23,28,29)