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

Systemtic Name: 2-(3-bromanylphenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-bromophenoxy)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C18H18BrN3O6S MolecularWeight: 484.32102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O6S/c19-14-3-1-5-16(11-14)28-13-18(23)20-7-9-21(10-8-20)29(26,27)17-6-2-4-15(12-17)22(24)25/h1-6,11-12H,7-10,13H2