sodium 3-[2-iodanylethanoyl(methyl)amino]benzenesulfonate

Systemtic Name: sodium 3-[2-iodanylethanoyl(methyl)amino]benzenesulfonate Openeye Name: sodium 3-[(2-iodoacetyl)-methyl-amino]benzenesulfonate CAS Name: sodium 3-[(2-iodo-1-oxoethyl)-methylamino]benzenesulfonate IUPAC Name: sodium 3-[(2-iodoacetyl)-methylamino]benzenesulfonate Traditional Name: sodium 3-[(2-iodoacetyl)-methyl-amino]besylate Formula: C9H9INNaO4S MolecularWeight: 377.1313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10INO4S.Na/c1-11(9(12)6-10)7-3-2-4-8(5-7)16(13,14)15;/h2-5H,6H2,1H3,(H,13,14,15);/q;+1/p-1