2-(4-bromophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-bromophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(4-bromophenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromophenyl)-1-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(4-bromophenyl)-1-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]ethanone Formula: C19H20BrN3O6S MolecularWeight: 498.3476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O6S/c1-29-18-7-6-16(13-17(18)23(25)26)30(27,28)22-10-8-21(9-11-22)19(24)12-14-2-4-15(20)5-3-14/h2-7,13H,8-12H2,1H3