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

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NS(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NS(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O5S/c1-13(2)19(25-31(27,28)15-10-8-14(29-3)9-11-15)21(26)30-12-18-23-17-7-5-4-6-16(17)20(22)24-18/h4-11,13,19,25H,12H2,1-3H3,(H2,22,23,24)/t19-/m0/s1