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

Systemtic Name: [(1S)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] ester IUPAC Name: [(1S)-1-(4-oxo-1H-quinazolin-2-yl)ethyl] 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid [(1S)-1-(4-keto-1H-quinazolin-2-yl)ethyl] ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

C[C@@H](C1=NC(=O)C2=CC=CC=C2N1)OC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C21H22N4O6S/c1-13(20-24-18-6-4-3-5-17(18)21(28)25-20)31-19(27)11-12-22-32(29,30)16-9-7-15(8-10-16)23-14(2)26/h3-10,13,22H,11-12H2,1-2H3,(H,23,26)(H,24,25,28)/t13-/m0/s1