(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: (2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: (2-mesyl-3,4-dihydro-1H-isoquinolin-3-yl)-[4-(4-pyridylmethyl)piperazino]methanone Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H26N4O3S/c1-29(27,28)25-16-19-5-3-2-4-18(19)14-20(25)21(26)24-12-10-23(11-13-24)15-17-6-8-22-9-7-17/h2-9,20H,10-16H2,1H3