1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone Openeye Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone CAS Name: 1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-(3-phenylpropylsulfonyl)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(3-phenylpropylsulfonyl)ethanone Traditional Name: 1-[4-(coumaran-5-ylmethyl)piperazino]-2-(3-phenylpropylsulfonyl)ethanone Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CS(=O)(=O)CCCC4=CC=CC=C4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CS(=O)(=O)CCCC4=CC=CC=C4

InChI

InChI=1S/C24H30N2O4S/c27-24(19-31(28,29)16-4-7-20-5-2-1-3-6-20)26-13-11-25(12-14-26)18-21-8-9-23-22(17-21)10-15-30-23/h1-3,5-6,8-9,17H,4,7,10-16,18-19H2