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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(CN1CCNCC1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)COC(CN1CCNCC1S(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=CC=C4

InChI

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