[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)O[C@H](C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H21N3O5S/c1-13-7-9-15(10-8-13)29(26,27)21-12-11-18(24)28-14(2)19-22-17-6-4-3-5-16(17)20(25)23-19/h3-10,14,21H,11-12H2,1-2H3,(H,22,23,25)/t14-/m1/s1