1-[3-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-[3-[2-cyano-2-(4-methylphenyl)sulfonyl-ethenyl]-9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide Openeye Name: 1-[3-[2-cyano-2-(p-tolylsulfonyl)vinyl]-9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide CAS Name: 1-[3-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-[2-cyano-2-(4-methylphenyl)sulfonylethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide Traditional Name: 1-[3-(2-cyano-2-tosyl-vinyl)-4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl]isonipecotamide Formula: C25H25N5O4S MolecularWeight: 491.5621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC(CC4)C(=O)N)C#N

InChI

InChI=1S/C25H25N5O4S/c1-16-5-7-19(8-6-16)35(33,34)20(15-26)14-21-24(29-12-9-18(10-13-29)22(27)31)28-23-17(2)4-3-11-30(23)25(21)32/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H2,27,31)