3,4,6-tris(chloranyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phenolate

Systemtic Name: 3,4,6-tris(chloranyl)-2-[4-(phenylsulfonyl)piperazin-1-yl]carbonyl-phenolate Openeye Name: 2-[4-(benzenesulfonyl)piperazine-1-carbonyl]-3,4,6-trichloro-phenolate CAS Name: 2-[[4-(benzenesulfonyl)-1-piperazinyl]-oxomethyl]-3,4,6-trichlorophenolate IUPAC Name: 2-[4-(benzenesulfonyl)piperazine-1-carbonyl]-3,4,6-trichlorophenolate Traditional Name: 2-(4-besylpiperazine-1-carbonyl)-3,4,6-trichloro-phenolate Formula: C17H14Cl3N2O4S- MolecularWeight: 448.72806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H15Cl3N2O4S/c18-12-10-13(19)16(23)14(15(12)20)17(24)21-6-8-22(9-7-21)27(25,26)11-4-2-1-3-5-11/h1-5,10,23H,6-9H2/p-1