sodium 4-[(3-chlorophenyl)methylamino]benzenesulfonate

Systemtic Name: sodium 4-[(3-chlorophenyl)methylamino]benzenesulfonate Openeye Name: sodium 4-[(3-chlorophenyl)methylamino]benzenesulfonate CAS Name: sodium 4-[(3-chlorophenyl)methylamino]benzenesulfonate IUPAC Name: sodium 4-[(3-chlorophenyl)methylamino]benzenesulfonate Traditional Name: sodium 4-[(3-chlorobenzyl)amino]besylate Formula: C13H11ClNNaO3S MolecularWeight: 319.73911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CNC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CNC2=CC=C(C=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H12ClNO3S.Na/c14-11-3-1-2-10(8-11)9-15-12-4-6-13(7-5-12)19(16,17)18;/h1-8,15H,9H2,(H,16,17,18);/q;+1/p-1