(4-azanylquinazolin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C19H20N4O4S/c1-13-6-8-14(9-7-13)28(25,26)21-11-10-18(24)27-12-17-22-16-5-3-2-4-15(16)19(20)23-17/h2-9,21H,10-12H2,1H3,(H2,20,22,23)