sodium 4-[(3,4-dimethylphenyl)methylamino]benzenesulfonate

Systemtic Name: sodium 4-[(3,4-dimethylphenyl)methylamino]benzenesulfonate Openeye Name: sodium 4-[(3,4-dimethylphenyl)methylamino]benzenesulfonate CAS Name: sodium 4-[(3,4-dimethylphenyl)methylamino]benzenesulfonate IUPAC Name: sodium 4-[(3,4-dimethylphenyl)methylamino]benzenesulfonate Traditional Name: sodium 4-[(3,4-dimethylbenzyl)amino]besylate Formula: C15H16NNaO3S MolecularWeight: 313.34721

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1=C(C=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)[O-])C.[Na+]

InChI

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