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

Systemtic Name: 2-(3-nitrophenoxy)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-nitrophenoxy)ethanone CAS Name: 2-(3-nitrophenoxy)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-nitrophenoxy)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3-nitrophenoxy)ethanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3O6S/c23-19(14-28-18-8-4-7-17(13-18)22(24)25)20-9-11-21(12-10-20)29(26,27)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2