1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfonylpropoxy)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfonylpropoxy)phenyl]isoquinoline Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfonylpropoxy)phenyl]isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[4-(3-methylsulfonylpropoxy)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[4-(3-methylsulfonylpropoxy)phenyl]isoquinoline Traditional Name: 1-(4-ethylpiperazino)-3-[4-(3-mesylpropoxy)phenyl]isoquinoline Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3S/c1-3-27-13-15-28(16-14-27)25-23-8-5-4-7-21(23)19-24(26-25)20-9-11-22(12-10-20)31-17-6-18-32(2,29)30/h4-5,7-12,19H,3,6,13-18H2,1-2H3