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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (2S)-3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-(tosylamino)butyric acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H24N4O4S/c1-13(2)19(25-30(27,28)15-10-8-14(3)9-11-15)21(26)29-12-18-23-17-7-5-4-6-16(17)20(22)24-18/h4-11,13,19,25H,12H2,1-3H3,(H2,22,23,24)/t19-/m0/s1