N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-(4-methyl-3-piperidinosulfonyl-phenyl)-2-(2-pyrimidylthio)acetamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC=CC=N2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H22N4O3S2/c1-14-6-7-15(21-17(23)13-26-18-19-8-5-9-20-18)12-16(14)27(24,25)22-10-3-2-4-11-22/h5-9,12H,2-4,10-11,13H2,1H3,(H,21,23)