(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C20H19BrN4O6S MolecularWeight: 523.35706

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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=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)OCC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C20H19BrN4O6S/c1-13(26)22-15-4-6-17(7-5-15)32(29,30)24(2)11-20(28)31-12-16-9-19(27)25-10-14(21)3-8-18(25)23-16/h3-10H,11-12H2,1-2H3,(H,22,26)