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

Systemtic Name: N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-[4-(4-fluorophenyl)-1-piperazinyl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(4-hydroxyphenyl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-[[4-(4-fluorophenyl)piperazino]methyl]-2-(4-hydroxyphenyl)ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C29H31FN4O3S MolecularWeight: 534.644843

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C29H31FN4O3S/c1-32(38(36,37)29-4-2-3-23-20-31-14-13-28(23)29)26(19-22-5-11-27(35)12-6-22)21-33-15-17-34(18-16-33)25-9-7-24(30)8-10-25/h2-14,20,26,35H,15-19,21H2,1H3