1-[4-(3-bromanylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-(3-bromanylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(3-bromophenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-(3-bromophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(3-bromophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-(3-bromophenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C17H18BrN3O5S MolecularWeight: 456.31092

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC(=CC=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H18BrN3O5S/c1-19-7-9-20(10-8-19)27(24,25)15-5-6-17(16(12-15)21(22)23)26-14-4-2-3-13(18)11-14/h2-6,11-12H,7-10H2,1H3