1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranylphenoxy)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(3-fluoranylphenoxy)ethanone Openeye Name: 2-(3-fluorophenoxy)-1-(4-indan-5-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-(3-fluorophenoxy)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone Traditional Name: 2-(3-fluorophenoxy)-1-(4-indan-5-ylsulfonylpiperazino)ethanone Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)F

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)COC4=CC(=CC=C4)F

InChI

InChI=1S/C21H23FN2O4S/c22-18-5-2-6-19(14-18)28-15-21(25)23-9-11-24(12-10-23)29(26,27)20-8-7-16-3-1-4-17(16)13-20/h2,5-8,13-14H,1,3-4,9-12,15H2