(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: (7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-morpholinosulfonyl-benzoate CAS Name: 2-methoxy-5-(4-morpholinylsulfonyl)benzoic acid (7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-methoxy-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-methoxy-5-morpholinosulfonyl-benzoic acid (7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C21H20ClN3O7S MolecularWeight: 493.9174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)Cl

InChI

InChI=1S/C21H20ClN3O7S/c1-30-18-4-3-16(33(28,29)24-6-8-31-9-7-24)11-17(18)21(27)32-13-15-10-20(26)25-12-14(22)2-5-19(25)23-15/h2-5,10-12H,6-9,13H2,1H3