(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

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