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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(2-pyridinyl)-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(2-pyridyl)piperazino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C28H31N5O3S MolecularWeight: 517.64244

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=N3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

Isomeric SMILES

CN(C(CC1=CC=C(C=C1)O)CN2CCN(CC2)C3=CC=CC=N3)S(=O)(=O)C4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C28H31N5O3S/c1-31(37(35,36)27-6-4-5-23-20-29-14-12-26(23)27)24(19-22-8-10-25(34)11-9-22)21-32-15-17-33(18-16-32)28-7-2-3-13-30-28/h2-14,20,24,34H,15-19,21H2,1H3