sodium 2-[methyl-[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonyl-amino]ethanesulfonate

Systemtic Name: sodium 2-[methyl-[3-[tris(bromanyl)methylsulfonyl]phenyl]carbonyl-amino]ethanesulfonate Openeye Name: sodium 2-[methyl-[3-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate CAS Name: sodium 2-[methyl-[oxo-[3-(tribromomethylsulfonyl)phenyl]methyl]amino]ethanesulfonate IUPAC Name: sodium 2-[methyl-[3-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate Traditional Name: sodium 2-[methyl-[3-(tribromomethylsulfonyl)benzoyl]amino]ethanesulfonate Formula: C11H11Br3NNaO6S2 MolecularWeight: 580.03991

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCS(=O)(=O)[O-])C(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br.[Na+]

Isomeric SMILES

CN(CCS(=O)(=O)[O-])C(=O)C1=CC(=CC=C1)S(=O)(=O)C(Br)(Br)Br.[Na+]

InChI

InChI=1S/C11H12Br3NO6S2.Na/c1-15(5-6-22(17,18)19)10(16)8-3-2-4-9(7-8)23(20,21)11(12,13)14;/h2-4,7H,5-6H2,1H3,(H,17,18,19);/q;+1/p-1