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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2=C(N=C(N=C2C)SC)C)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H30N4O3S2/c1-15-8-9-18(14-20(15)31(28,29)26-12-6-5-7-13-26)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)