5-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-2-nitro-phenolate

Systemtic Name: 5-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]carbonyl-2-nitro-phenolate Openeye Name: 5-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-2-nitro-phenolate CAS Name: 5-[[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-nitrophenolate IUPAC Name: 5-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-2-nitrophenolate Traditional Name: 5-[4-(3-bromophenyl)sulfonylpiperazine-1-carbonyl]-2-nitro-phenolate Formula: C17H15BrN3O6S- MolecularWeight: 469.2865

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O6S/c18-13-2-1-3-14(11-13)28(26,27)20-8-6-19(7-9-20)17(23)12-4-5-15(21(24)25)16(22)10-12/h1-5,10-11,22H,6-9H2/p-1