N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]ethanesulfonamide

Systemtic Name: N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]ethanesulfonamide Openeye Name: N-[[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methyl]ethanesulfonamide CAS Name: N-[[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methyl]ethanesulfonamide IUPAC Name: N-[[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]ethanesulfonamide Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzyl]ethanesulfonamide Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CNS(=O)(=O)CC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CNS(=O)(=O)CC

InChI

InChI=1S/C24H30N4O2S/c1-3-27-13-15-28(16-14-27)24-22-8-6-5-7-21(22)17-23(26-24)20-11-9-19(10-12-20)18-25-31(29,30)4-2/h5-12,17,25H,3-4,13-16,18H2,1-2H3