1-[3-(4-hydroxyphenyl)propyl]-N-methyl-N-[4-(phenylcarbonyl)piperazin-1-yl]isoquinoline-5-sulfonamide

Systemtic Name: 1-[3-(4-hydroxyphenyl)propyl]-N-methyl-N-[4-(phenylcarbonyl)piperazin-1-yl]isoquinoline-5-sulfonamide Openeye Name: N-(4-benzoylpiperazin-1-yl)-1-[3-(4-hydroxyphenyl)propyl]-N-methyl-isoquinoline-5-sulfonamide CAS Name: N-(4-benzoyl-1-piperazinyl)-1-[3-(4-hydroxyphenyl)propyl]-N-methyl-5-isoquinolinesulfonamide IUPAC Name: N-(4-benzoylpiperazin-1-yl)-1-[3-(4-hydroxyphenyl)propyl]-N-methylisoquinoline-5-sulfonamide Traditional Name: N-(4-benzoylpiperazino)-1-[3-(4-hydroxyphenyl)propyl]-N-methyl-isoquinoline-5-sulfonamide Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

CN(N1CCN(CC1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4CCCC5=CC=C(C=C5)O

Isomeric SMILES

CN(N1CCN(CC1)C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC4=C3C=CN=C4CCCC5=CC=C(C=C5)O

InChI

InChI=1S/C30H32N4O4S/c1-32(34-21-19-33(20-22-34)30(36)24-8-3-2-4-9-24)39(37,38)29-12-6-10-26-27(29)17-18-31-28(26)11-5-7-23-13-15-25(35)16-14-23/h2-4,6,8-10,12-18,35H,5,7,11,19-22H2,1H3