2-(3-bromanylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanylphenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-bromophenoxy)ethanone CAS Name: 2-(3-bromophenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-bromophenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3-bromophenoxy)ethanone Formula: C19H21BrN2O4S MolecularWeight: 453.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC(=CC=C2)Br)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrN2O4S/c20-17-7-4-8-18(13-17)26-14-19(23)21-9-11-22(12-10-21)27(24,25)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2