N-methyl-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-methyl-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-methyl-N-[1-[[4-(4-pyridylmethoxy)phenyl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-methyl-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]-3-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-methyl-N-[1-[4-(pyridin-4-ylmethoxy)phenyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-methyl-N-[1-[4-(4-pyridylmethoxy)benzyl]-2-[4-(2-pyrimidyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C33H35N7O3S MolecularWeight: 609.7411

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)OCC2=CC=NC=C2)CN3CCN(CC3)C4=NC=CC=N4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)OCC2=CC=NC=C2)CN3CCN(CC3)C4=NC=CC=N4)S(=O)(=O)C5=CC=CC6=C5C=CN=C6

InChI

InChI=1S/C33H35N7O3S/c1-38(44(41,42)32-5-2-4-28-23-35-17-12-31(28)32)29(24-39-18-20-40(21-19-39)33-36-13-3-14-37-33)22-26-6-8-30(9-7-26)43-25-27-10-15-34-16-11-27/h2-17,23,29H,18-22,24-25H2,1H3