sodium 3-[[3-(iodanylmethyl)phenyl]carbonylamino]benzenesulfonate

Systemtic Name: sodium 3-[[3-(iodanylmethyl)phenyl]carbonylamino]benzenesulfonate Openeye Name: sodium 3-[[3-(iodomethyl)benzoyl]amino]benzenesulfonate CAS Name: sodium 3-[[[3-(iodomethyl)phenyl]-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 3-[[3-(iodomethyl)benzoyl]amino]benzenesulfonate Traditional Name: sodium 3-[[3-(iodomethyl)benzoyl]amino]besylate Formula: C14H11INNaO4S MolecularWeight: 439.20068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CI)C(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)CI)C(=O)NC2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H12INO4S.Na/c15-9-10-3-1-4-11(7-10)14(17)16-12-5-2-6-13(8-12)21(18,19)20;/h1-8H,9H2,(H,16,17)(H,18,19,20);/q;+1/p-1