(8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (8-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid (8-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl ester IUPAC Name: (8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (4-keto-8-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C22H22FN3O5S MolecularWeight: 459.490583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=CC2=NC(=CC(=O)N2C=C1)COC(=O)C3=CC(=C(C=C3)F)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H22FN3O5S/c1-15-7-10-26-20(11-15)24-17(13-21(26)27)14-31-22(28)16-5-6-18(23)19(12-16)32(29,30)25-8-3-2-4-9-25/h5-7,10-13H,2-4,8-9,14H2,1H3