(4-azanylquinazolin-2-yl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2C(=N1)N)NS(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H22N4O6S/c1-13(21(26)31-12-19-23-16-6-3-2-5-15(16)20(22)24-19)25-32(27,28)14-7-8-17-18(11-14)30-10-4-9-29-17/h2-3,5-8,11,13,25H,4,9-10,12H2,1H3,(H2,22,23,24)/t13-/m0/s1