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

Systemtic Name: (9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(phenylsulfonylamino)propanoate Openeye Name: (9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)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-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid (4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O5S/c1-14-6-5-11-22-17(23)12-15(21-19(14)22)13-27-18(24)9-10-20-28(25,26)16-7-3-2-4-8-16/h2-8,11-12,20H,9-10,13H2,1H3