[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N

InChI

InChI=1S/C21H22N4O6S/c1-14-6-8-15(9-7-14)32(29,30)23-11-10-20(27)31-13-19-24-17-5-3-2-4-16(17)21(28)25(19)12-18(22)26/h2-9,23H,10-13H2,1H3,(H2,22,26)