N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]isoquinolin-3-amine

Systemtic Name: N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]isoquinolin-3-amine Openeye Name: N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]-2-pyridyl]isoquinolin-3-amine CAS Name: N-[4-[(4-methylsulfonyl-1-piperazinyl)methyl]-2-pyridinyl]-3-isoquinolinamine IUPAC Name: N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-2-yl]isoquinolin-3-amine Traditional Name: 3-isoquinolyl-[4-[(4-mesylpiperazino)methyl]-2-pyridyl]amine Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C20H23N5O2S/c1-28(26,27)25-10-8-24(9-11-25)15-16-6-7-21-19(12-16)23-20-13-17-4-2-3-5-18(17)14-22-20/h2-7,12-14H,8-11,15H2,1H3,(H,21,22,23)