[3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate

Systemtic Name: [3-(cyanomethyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Openeye Name: [3-(cyanomethyl)-4-oxo-quinazolin-2-yl]methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-chlorophenyl)sulfonylamino]propanoic acid [3-(cyanomethyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(cyanomethyl)-4-oxoquinazolin-2-yl]methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-chlorophenyl)sulfonylamino]propionic acid [3-(cyanomethyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C20H17ClN4O5S MolecularWeight: 460.89078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)Cl)CC#N

InChI

InChI=1S/C20H17ClN4O5S/c21-14-5-7-15(8-6-14)31(28,29)23-11-9-19(26)30-13-18-24-17-4-2-1-3-16(17)20(27)25(18)12-10-22/h1-8,23H,9,11-13H2