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

Systemtic Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)propanamide Openeye Name: 3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)-N-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]propanamide CAS Name: 3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-N-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]propanamide IUPAC Name: 3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide Traditional Name: 3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]-N-(4-methoxy-3-piperidinosulfonyl-phenyl)propionamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC2=CC(=C(C=C2)OC)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H30N4O4S2/c1-15-18(16(2)24-22(23-15)31-4)9-11-21(27)25-17-8-10-19(30-3)20(14-17)32(28,29)26-12-6-5-7-13-26/h8,10,14H,5-7,9,11-13H2,1-4H3,(H,25,27)