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

Systemtic Name: 5-chloranyl-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-2-ethylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]phenyl]-2-(ethylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-2-ethylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(2S)-2-ethylpiperidino]sulfonylphenyl]-2-(ethylthio)pyrimidine-4-carboxamide Formula: C20H25ClN4O3S2 MolecularWeight: 469.0205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O3S2/c1-3-15-7-5-6-12-25(15)30(27,28)16-10-8-14(9-11-16)23-19(26)18-17(21)13-22-20(24-18)29-4-2/h8-11,13,15H,3-7,12H2,1-2H3,(H,23,26)/t15-/m0/s1