sodium 3-[[(2-ethyl-3-methyl-phenyl)amino]methyl]benzenesulfonate

Systemtic Name: sodium 3-[[(2-ethyl-3-methyl-phenyl)amino]methyl]benzenesulfonate Openeye Name: sodium 3-[(2-ethyl-3-methyl-anilino)methyl]benzenesulfonate CAS Name: sodium 3-[(2-ethyl-3-methylanilino)methyl]benzenesulfonate IUPAC Name: sodium 3-[(2-ethyl-3-methylanilino)methyl]benzenesulfonate Traditional Name: sodium 3-[(2-ethyl-3-methyl-anilino)methyl]besylate Formula: C16H18NNaO3S MolecularWeight: 327.37379

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC=C1NCC2=CC(=CC=C2)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CCC1=C(C=CC=C1NCC2=CC(=CC=C2)S(=O)(=O)[O-])C.[Na+]

InChI

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