2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4-bromanyl-2-(hydroxymethyl)phenoxy]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-bromo-2-(hydroxymethyl)phenoxy]ethanone Traditional Name: 1-(4-besylpiperazino)-2-(4-bromo-2-methylol-phenoxy)ethanone Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O5S/c20-16-6-7-18(15(12-16)13-23)27-14-19(24)21-8-10-22(11-9-21)28(25,26)17-4-2-1-3-5-17/h1-7,12,23H,8-11,13-14H2