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

Systemtic Name: sodium 3-[[ethyl-(3-methylphenyl)amino]methyl]benzenesulfonate Openeye Name: sodium 3-[(N-ethyl-3-methyl-anilino)methyl]benzenesulfonate CAS Name: sodium 3-[(N-ethyl-3-methylanilino)methyl]benzenesulfonate IUPAC Name: sodium 3-[(N-ethyl-3-methylanilino)methyl]benzenesulfonate Traditional Name: sodium 3-[(N-ethyl-3-methyl-anilino)methyl]besylate Formula: C16H18NNaO3S MolecularWeight: 327.37379

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3S.Na/c1-3-17(15-8-4-6-13(2)10-15)12-14-7-5-9-16(11-14)21(18,19)20;/h4-11H,3,12H2,1-2H3,(H,18,19,20);/q;+1/p-1