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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(3-phenylpropyl)-1-piperazinyl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(3-phenylpropyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C31H36N4O3S MolecularWeight: 544.70754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCN1CCCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C31H36N4O3S/c36-29-13-11-26(12-14-29)22-28(33-39(37,38)31-10-4-9-27-23-32-16-15-30(27)31)24-35-20-18-34(19-21-35)17-5-8-25-6-2-1-3-7-25/h1-4,6-7,9-16,23,28,33,36H,5,8,17-22,24H2