2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]isoquinolin-1-one

Systemtic Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]isoquinolin-1-one Openeye Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]isoquinolin-1-one CAS Name: 2-[2-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]-1-isoquinolinone IUPAC Name: 2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylethyl]isoquinolin-1-one Traditional Name: 2-[2-[4-(2-pyrimidyl)piperazino]sulfonylethyl]isocarbostyril Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCN3C=CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)S(=O)(=O)CCN3C=CC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H21N5O3S/c25-18-17-5-2-1-4-16(17)6-9-22(18)14-15-28(26,27)24-12-10-23(11-13-24)19-20-7-3-8-21-19/h1-9H,10-15H2