N-[[2-chloranyl-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]propane-1-sulfonamide

Systemtic Name: N-[[2-chloranyl-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]propane-1-sulfonamide Openeye Name: N-[[2-chloro-4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methyl]propane-1-sulfonamide CAS Name: N-[[2-chloro-4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methyl]-1-propanesulfonamide IUPAC Name: N-[[2-chloro-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methyl]propane-1-sulfonamide Traditional Name: N-[2-chloro-4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzyl]propane-1-sulfonamide Formula: C25H31ClN4O2S MolecularWeight: 487.05724

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)Cl

Isomeric SMILES

CCCS(=O)(=O)NCC1=C(C=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC)Cl

InChI

InChI=1S/C25H31ClN4O2S/c1-3-15-33(31,32)27-18-21-10-9-20(16-23(21)26)24-17-19-7-5-6-8-22(19)25(28-24)30-13-11-29(4-2)12-14-30/h5-10,16-17,27H,3-4,11-15,18H2,1-2H3