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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(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)NC(C)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC2=NC3=CC=CC=C3C(=N2)N

InChI

InChI=1S/C19H20N4O4S/c1-12-7-9-14(10-8-12)28(25,26)23-13(2)19(24)27-11-17-21-16-6-4-3-5-15(16)18(20)22-17/h3-10,13,23H,11H2,1-2H3,(H2,20,21,22)/t13-/m0/s1