2-(4-bromanylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromanylphenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-bromophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]ethanone Formula: C20H21BrN2O6S MolecularWeight: 497.35954

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21BrN2O6S/c21-15-1-3-16(4-2-15)29-14-20(24)22-7-9-23(10-8-22)30(25,26)17-5-6-18-19(13-17)28-12-11-27-18/h1-6,13H,7-12,14H2