(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H19ClN4O6S MolecularWeight: 478.90606

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN4O6S/c1-12(26)22-14-4-6-15(7-5-14)32(29,30)25(2)10-19(27)31-11-18-23-17-9-13(21)3-8-16(17)20(28)24-18/h3-9H,10-11H2,1-2H3,(H,22,26)(H,23,24,28)