3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(2-methyl-5-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[2-methyl-5-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[2-methyl-5-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(2-methyl-5-piperidinosulfonyl-phenyl)propionamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)CCC3=C(N=C(N=C3C)SC)C

InChI

InChI=1S/C22H30N4O3S2/c1-15-8-9-18(31(28,29)26-12-6-5-7-13-26)14-20(15)25-21(27)11-10-19-16(2)23-22(30-4)24-17(19)3/h8-9,14H,5-7,10-13H2,1-4H3,(H,25,27)