2-(4-methylphenyl)sulfonyl-3-(4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-(4-oxidanylidene-2-piperidin-1-yl-pyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile Openeye Name: 3-[4-oxo-2-(1-piperidyl)pyrido[1,2-a]pyrimidin-3-yl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-[4-oxo-2-(1-piperidinyl)-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)prop-2-enenitrile Traditional Name: 3-(4-keto-2-piperidino-pyrido[1,2-a]pyrimidin-3-yl)-2-tosyl-acrylonitrile Formula: C23H22N4O3S MolecularWeight: 434.51078

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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)N4CCCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCCCC4)C#N

InChI

InChI=1S/C23H22N4O3S/c1-17-8-10-18(11-9-17)31(29,30)19(16-24)15-20-22(26-12-4-2-5-13-26)25-21-7-3-6-14-27(21)23(20)28/h3,6-11,14-15H,2,4-5,12-13H2,1H3