5-[4-[2-(2-methylpropoxy)-2-phenyl-ethyl]piperazin-1-yl]sulfonylisoquinoline

Systemtic Name: 5-[4-[2-(2-methylpropoxy)-2-phenyl-ethyl]piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(2-isobutoxy-2-phenyl-ethyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-[2-(2-methylpropoxy)-2-phenylethyl]-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-[2-(2-methylpropoxy)-2-phenylethyl]piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(2-isobutoxy-2-phenyl-ethyl)piperazino]sulfonylisoquinoline Formula: C25H31N3O3S MolecularWeight: 453.59694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S/c1-20(2)19-31-24(21-7-4-3-5-8-21)18-27-13-15-28(16-14-27)32(29,30)25-10-6-9-22-17-26-12-11-23(22)25/h3-12,17,20,24H,13-16,18-19H2,1-2H3