N-[1-(4-hydroxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C26H28N6O3S MolecularWeight: 504.60392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCN1CC(CC2=CC=C(C=C2)O)NS(=O)(=O)C3=CC=CC4=C3C=CN=C4)C5=NC=CC=N5

InChI

InChI=1S/C26H28N6O3S/c33-23-7-5-20(6-8-23)17-22(19-31-13-15-32(16-14-31)26-28-10-2-11-29-26)30-36(34,35)25-4-1-3-21-18-27-12-9-24(21)25/h1-12,18,22,30,33H,13-17,19H2