4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]benzenesulfonamide CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]benzenesulfonamide IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]benzenesulfonamide Traditional Name: 4-[1-(4-ethylpiperazino)-3-isoquinolyl]benzenesulfonamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S/c1-2-24-11-13-25(14-12-24)21-19-6-4-3-5-17(19)15-20(23-21)16-7-9-18(10-8-16)28(22,26)27/h3-10,15H,2,11-14H2,1H3,(H2,22,26,27)