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

Systemtic Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]ethanesulfonamide Openeye Name: N-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]ethanesulfonamide CAS Name: N-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]ethanesulfonamide IUPAC Name: N-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]ethanesulfonamide Traditional Name: N-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]ethanesulfonamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2S/c1-3-26-13-15-27(16-14-26)23-21-8-6-5-7-19(21)17-22(24-23)18-9-11-20(12-10-18)25-30(28,29)4-2/h5-12,17,25H,3-4,13-16H2,1-2H3