sodium 3-[[ethyl(phenyl)amino]methyl]benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

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