2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline CAS Name: 2-[[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]sulfonyl-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[4-(coumaran-5-ylmethyl)piperazino]sulfonyl-3,4-dihydro-1H-isoquinoline Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCC5

InChI

InChI=1S/C22H27N3O3S/c26-29(27,25-9-7-19-3-1-2-4-21(19)17-25)24-12-10-23(11-13-24)16-18-5-6-22-20(15-18)8-14-28-22/h1-6,15H,7-14,16-17H2