(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: (6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: 3-[(4-acetamidophenyl)sulfonylamino]propanoic acid (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-acetamidophenyl)sulfonylamino]propionic acid (4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H23N4O6S+ MolecularWeight: 459.49552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)COC(=O)CCNS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

InChI

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