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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)-1-piperazinyl]propan-2-yl]-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-yl]isoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(4-methoxyphenyl)piperazino]ethyl]isoquinoline-5-sulfonamide Formula: C29H32N4O4S MolecularWeight: 532.65378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)CC(CC3=CC=C(C=C3)O)NS(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H32N4O4S/c1-37-27-11-7-25(8-12-27)33-17-15-32(16-18-33)21-24(19-22-5-9-26(34)10-6-22)31-38(35,36)29-4-2-3-23-20-30-14-13-28(23)29/h2-14,20,24,31,34H,15-19,21H2,1H3