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

Systemtic Name: N-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]pyridin-2-yl]isoquinolin-3-amine Openeye Name: N-[4-[(4-methylsulfonyl-1-piperidyl)methyl]-2-pyridyl]isoquinolin-3-amine CAS Name: N-[4-[(4-methylsulfonyl-1-piperidinyl)methyl]-2-pyridinyl]-3-isoquinolinamine IUPAC Name: N-[4-[(4-methylsulfonylpiperidin-1-yl)methyl]pyridin-2-yl]isoquinolin-3-amine Traditional Name: 3-isoquinolyl-[4-[(4-mesylpiperidino)methyl]-2-pyridyl]amine Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CCN(CC1)CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CS(=O)(=O)C1CCN(CC1)CC2=CC(=NC=C2)NC3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C21H24N4O2S/c1-28(26,27)19-7-10-25(11-8-19)15-16-6-9-22-20(12-16)24-21-13-17-4-2-3-5-18(17)14-23-21/h2-6,9,12-14,19H,7-8,10-11,15H2,1H3,(H,22,23,24)