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

Systemtic Name: 5-chloranyl-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[[(2S)-2-ethyl-1-piperidyl]sulfonyl]phenyl]-2-isopropylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(2S)-2-ethyl-1-piperidinyl]sulfonyl]phenyl]-2-(propan-2-ylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(2S)-2-ethylpiperidin-1-yl]sulfonylphenyl]-2-propan-2-ylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(2S)-2-ethylpiperidino]sulfonylphenyl]-2-(isopropylthio)pyrimidine-4-carboxamide Formula: C21H27ClN4O3S2 MolecularWeight: 483.04708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O3S2/c1-4-16-7-5-6-12-26(16)31(28,29)17-10-8-15(9-11-17)24-20(27)19-18(22)13-23-21(25-19)30-14(2)3/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,24,27)/t16-/m0/s1