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

Systemtic Name: 5-chloranyl-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]phenyl]-2-methylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]phenyl]-2-(methylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-2-methylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[(3S)-3-methylpiperidino]sulfonylphenyl]-2-(methylthio)pyrimidine-4-carboxamide Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NC(=NC=C3Cl)SC

InChI

InChI=1S/C18H21ClN4O3S2/c1-12-4-3-9-23(11-12)28(25,26)14-7-5-13(6-8-14)21-17(24)16-15(19)10-20-18(22-16)27-2/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,21,24)/t12-/m0/s1