(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-chlorophenyl)sulfonylamino]-3-methyl-butyric acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H19Cl2N3O5S MolecularWeight: 484.35296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H19Cl2N3O5S/c1-11(2)18(25-31(28,29)14-6-3-12(21)4-7-14)20(27)30-10-17-23-16-9-13(22)5-8-15(16)19(26)24-17/h3-9,11,18,25H,10H2,1-2H3,(H,23,24,26)/t18-/m0/s1