N,N-diethyl-1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methanesulfonamide

Systemtic Name: N,N-diethyl-1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methanesulfonamide Openeye Name: N,N-diethyl-1-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]methanesulfonamide CAS Name: N,N-diethyl-1-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]methanesulfonamide IUPAC Name: N,N-diethyl-1-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]methanesulfonamide Traditional Name: N,N-diethyl-1-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]methanesulfonamide Formula: C26H34N4O2S MolecularWeight: 466.63876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O2S/c1-4-28-15-17-29(18-16-28)26-24-10-8-7-9-23(24)19-25(27-26)22-13-11-21(12-14-22)20-33(31,32)30(5-2)6-3/h7-14,19H,4-6,15-18,20H2,1-3H3