1-[(4-hydroxyphenyl)methyl]-N-[2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3CC4=CC=C(C=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3CC4=CC=C(C=C4)O)C5=CC=CC=C5

InChI

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