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

Systemtic Name: N-[1-(4-hydroxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-N-methyl-isoquinoline-5-sulfonamide Openeye Name: N-[1-[(4-hydroxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-[1-(4-hydroxyphenyl)-3-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-[1-(4-hydroxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-[1-(4-hydroxybenzyl)-2-[4-(2-pyrimidyl)piperazino]ethyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C27H30N6O3S MolecularWeight: 518.6305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O3S/c1-31(37(35,36)26-5-2-4-22-19-28-13-10-25(22)26)23(18-21-6-8-24(34)9-7-21)20-32-14-16-33(17-15-32)27-29-11-3-12-30-27/h2-13,19,23,34H,14-18,20H2,1H3