5-chloranyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-2-methylsulfanyl-N-[1-(p-tolylsulfonyl)-4-piperidyl]pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-2-(methylthio)-N-(1-tosyl-4-piperidyl)pyrimidine-4-carboxamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H21ClN4O3S2/c1-12-3-5-14(6-4-12)28(25,26)23-9-7-13(8-10-23)21-17(24)16-15(19)11-20-18(22-16)27-2/h3-6,11,13H,7-10H2,1-2H3,(H,21,24)