(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-3-morpholinosulfonyl-benzoate CAS Name: 4-chloro-3-(4-morpholinylsulfonyl)benzoic acid (7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-chloro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-chloro-3-morpholinosulfonyl-benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H20ClN3O6S MolecularWeight: 477.918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)COC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N4CCOCC4)C=C1

InChI

InChI=1S/C21H20ClN3O6S/c1-14-2-5-19-23-16(11-20(26)25(19)12-14)13-31-21(27)15-3-4-17(22)18(10-15)32(28,29)24-6-8-30-9-7-24/h2-5,10-12H,6-9,13H2,1H3