sodium 4-[(4-fluorophenyl)methylamino]benzenesulfonate

Systemtic Name: sodium 4-[(4-fluorophenyl)methylamino]benzenesulfonate Openeye Name: sodium 4-[(4-fluorophenyl)methylamino]benzenesulfonate CAS Name: sodium 4-[(4-fluorophenyl)methylamino]benzenesulfonate IUPAC Name: sodium 4-[(4-fluorophenyl)methylamino]benzenesulfonate Traditional Name: sodium 4-[(4-fluorobenzyl)amino]besylate Formula: C13H11FNNaO3S MolecularWeight: 303.284513

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=CC=C(C=C2)S(=O)(=O)[O-])F.[Na+]

Isomeric SMILES

C1=CC(=CC=C1CNC2=CC=C(C=C2)S(=O)(=O)[O-])F.[Na+]

InChI

InChI=1S/C13H12FNO3S.Na/c14-11-3-1-10(2-4-11)9-15-12-5-7-13(8-6-12)19(16,17)18;/h1-8,15H,9H2,(H,16,17,18);/q;+1/p-1