1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H25N3O5S/c1-13(2)19(25-31(28,29)16-11-9-14(3)10-12-16)22(27)30-15(4)20-23-18-8-6-5-7-17(18)21(26)24-20/h5-13,15,19,25H,1-4H3,(H,23,24,26)