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

Systemtic Name: 5-chloranyl-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[[(2R)-2-methyl-1-piperidyl]sulfonyl]phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(2R)-2-methyl-1-piperidinyl]sulfonyl]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(2R)-2-methylpiperidin-1-yl]sulfonylphenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(2R)-2-methylpiperidino]sulfonylphenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H21ClN4O3S2/c1-12-5-3-4-10-23(12)28(25,26)14-8-6-13(7-9-14)21-17(24)16-15(19)11-20-18(22-16)27-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,21,24)/t12-/m1/s1