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

Systemtic Name: 5-[4-(2-ethoxy-2-phenyl-ethyl)piperazin-1-yl]sulfonylisoquinoline Openeye Name: 5-[4-(2-ethoxy-2-phenyl-ethyl)piperazin-1-yl]sulfonylisoquinoline CAS Name: 5-[[4-(2-ethoxy-2-phenylethyl)-1-piperazinyl]sulfonyl]isoquinoline IUPAC Name: 5-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]sulfonylisoquinoline Traditional Name: 5-[4-(2-ethoxy-2-phenyl-ethyl)piperazino]sulfonylisoquinoline Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O3S/c1-2-29-22(19-7-4-3-5-8-19)18-25-13-15-26(16-14-25)30(27,28)23-10-6-9-20-17-24-12-11-21(20)23/h3-12,17,22H,2,13-16,18H2,1H3