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

Systemtic Name: 5-[4-(2-methoxy-2-phenyl-ethyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(2-methoxy-2-phenyl-ethyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(2-methoxy-2-phenylethyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(2-methoxy-2-phenyl-ethyl)piperazino]sulfonylisoquinoline Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-28-21(18-6-3-2-4-7-18)17-24-12-14-25(15-13-24)29(26,27)22-9-5-8-19-16-23-11-10-20(19)22/h2-11,16,21H,12-15,17H2,1H3