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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-(4-phenyl-1-piperazinyl)propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-(4-phenylpiperazino)ethyl]isoquinoline-5-sulfonamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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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=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O3S/c33-26-11-9-22(10-12-26)19-24(21-31-15-17-32(18-16-31)25-6-2-1-3-7-25)30-36(34,35)28-8-4-5-23-20-29-14-13-27(23)28/h1-14,20,24,30,33H,15-19,21H2