N-[[1-chloranyl-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]cyclohexa-2,5-dien-1-yl]methyl]propane-1-sulfonamide

Systemtic Name: N-[[1-chloranyl-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]cyclohexa-2,5-dien-1-yl]methyl]propane-1-sulfonamide Openeye Name: N-[[1-chloro-4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]cyclohexa-2,5-dien-1-yl]methyl]propane-1-sulfonamide CAS Name: N-[[1-chloro-4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-1-cyclohexa-2,5-dienyl]methyl]-1-propanesulfonamide IUPAC Name: N-[[1-chloro-4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]cyclohexa-2,5-dien-1-yl]methyl]propane-1-sulfonamide Traditional Name: N-[[1-chloro-4-[1-(4-ethylpiperazino)-3-isoquinolyl]cyclohexa-2,5-dien-1-yl]methyl]propane-1-sulfonamide Formula: C25H33ClN4O2S MolecularWeight: 489.07312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33ClN4O2S/c1-3-17-33(31,32)27-19-25(26)11-9-20(10-12-25)23-18-21-7-5-6-8-22(21)24(28-23)30-15-13-29(4-2)14-16-30/h5-12,18,20,27H,3-4,13-17,19H2,1-2H3