(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate

Systemtic Name: (7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-benzoate Openeye Name: (7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl 3-[(3,5-dimethyl-1-piperidyl)sulfonyl]-4-methoxy-benzoate CAS Name: 3-[(3,5-dimethyl-1-piperidinyl)sulfonyl]-4-methoxybenzoic 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 3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxybenzoate Traditional Name: 3-(3,5-dimethylpiperidino)sulfonyl-4-methoxy-benzoic acid (4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methyl ester Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C)OC)C

Isomeric SMILES

CC1CC(CN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC(=O)N4C=C(C=CC4=N3)C)OC)C

InChI

InChI=1S/C25H29N3O6S/c1-16-5-8-23-26-20(11-24(29)28(23)14-16)15-34-25(30)19-6-7-21(33-4)22(10-19)35(31,32)27-12-17(2)9-18(3)13-27/h5-8,10-11,14,17-18H,9,12-13,15H2,1-4H3