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

Systemtic Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-methyl-N-propyl-benzenesulfonamide Openeye Name: 4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-N-methyl-N-propyl-benzenesulfonamide CAS Name: 4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-N-methyl-N-propylbenzenesulfonamide IUPAC Name: 4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-N-methyl-N-propylbenzenesulfonamide Traditional Name: 4-[1-(4-ethylpiperazino)-3-isoquinolyl]-N-methyl-N-propyl-benzenesulfonamide Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

Isomeric SMILES

CCCN(C)S(=O)(=O)C1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)CC

InChI

InChI=1S/C25H32N4O2S/c1-4-14-27(3)32(30,31)22-12-10-20(11-13-22)24-19-21-8-6-7-9-23(21)25(26-24)29-17-15-28(5-2)16-18-29/h6-13,19H,4-5,14-18H2,1-3H3