N-[4-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]sulfonylphenyl]ethanamide

Systemtic Name: N-[4-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]sulfonylphenyl]ethanamide Openeye Name: N-[4-[[3-(5-methylsulfonylpyrimidin-4-yl)-1-piperidyl]sulfonyl]phenyl]acetamide CAS Name: N-[4-[[3-(5-methylsulfonyl-4-pyrimidinyl)-1-piperidinyl]sulfonyl]phenyl]acetamide IUPAC Name: N-[4-[3-(5-methylsulfonylpyrimidin-4-yl)piperidin-1-yl]sulfonylphenyl]acetamide Traditional Name: N-[4-[3-(5-mesylpyrimidin-4-yl)piperidino]sulfonylphenyl]acetamide Formula: C18H22N4O5S2 MolecularWeight: 438.52108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC=NC=C3S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C3=NC=NC=C3S(=O)(=O)C

InChI

InChI=1S/C18H22N4O5S2/c1-13(23)21-15-5-7-16(8-6-15)29(26,27)22-9-3-4-14(11-22)18-17(28(2,24)25)10-19-12-20-18/h5-8,10,12,14H,3-4,9,11H2,1-2H3,(H,21,23)