(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H19ClN4O6S MolecularWeight: 478.90606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C20H19ClN4O6S/c1-11(25-32(29,30)15-6-4-14(5-7-15)22-12(2)26)20(28)31-10-18-23-17-9-13(21)3-8-16(17)19(27)24-18/h3-9,11,25H,10H2,1-2H3,(H,22,26)(H,23,24,27)/t11-/m0/s1