sodium 4-[(4-methyliodanuidylphenyl)carbonylamino]benzenesulfonate

Systemtic Name: sodium 4-[(4-methyliodanuidylphenyl)carbonylamino]benzenesulfonate Openeye Name: sodium 4-[(4-methyliodanuidylbenzoyl)amino]benzenesulfonate CAS Name: sodium 4-[[(4-methyliodanuidylphenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[(4-methyliodanuidylbenzoyl)amino]benzenesulfonate Traditional Name: sodium 4-[(4-methyliodanuidylbenzoyl)amino]besylate Formula: C14H12INNaO4S- MolecularWeight: 440.20862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13INO4S.Na/c1-15-11-4-2-10(3-5-11)14(17)16-12-6-8-13(9-7-12)21(18,19)20;/h2-9H,1H3,(H,16,17)(H,18,19,20);/q-1;+1/p-1