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

Systemtic Name: 5-chloranyl-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(2S)-2-ethylpiperidino]sulfonylphenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C19H23ClN4O3S2 MolecularWeight: 454.99392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O3S2/c1-3-14-6-4-5-11-24(14)29(26,27)15-9-7-13(8-10-15)22-18(25)17-16(20)12-21-19(23-17)28-2/h7-10,12,14H,3-6,11H2,1-2H3,(H,22,25)/t14-/m0/s1