5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[(4-methyl-1-piperidyl)sulfonyl]phenyl]-2-(m-tolylmethylsulfanyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-2-[(3-methylphenyl)methylthio]-N-[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-2-[(3-methylphenyl)methylsulfanyl]-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyrimidine-4-carboxamide Traditional Name: 5-chloro-2-[(3-methylbenzyl)thio]-N-[4-(4-methylpiperidino)sulfonylphenyl]pyrimidine-4-carboxamide Formula: C25H27ClN4O3S2 MolecularWeight: 531.08988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC(=C4)C

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SCC4=CC=CC(=C4)C

InChI

InChI=1S/C25H27ClN4O3S2/c1-17-10-12-30(13-11-17)35(32,33)21-8-6-20(7-9-21)28-24(31)23-22(26)15-27-25(29-23)34-16-19-5-3-4-18(2)14-19/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,31)