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

Systemtic Name: sodium 3-[[(2-ethylphenyl)amino]methyl]benzenesulfonate Openeye Name: sodium 3-[(2-ethylanilino)methyl]benzenesulfonate CAS Name: sodium 3-[(2-ethylanilino)methyl]benzenesulfonate IUPAC Name: sodium 3-[(2-ethylanilino)methyl]benzenesulfonate Traditional Name: sodium 3-[(2-ethylanilino)methyl]besylate Formula: C15H16NNaO3S MolecularWeight: 313.34721

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NCC2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCC1=CC=CC=C1NCC2=CC(=CC=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H17NO3S.Na/c1-2-13-7-3-4-9-15(13)16-11-12-6-5-8-14(10-12)20(17,18)19;/h3-10,16H,2,11H2,1H3,(H,17,18,19);/q;+1/p-1