4-[(3-ethyl-4-methyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonate

Systemtic Name: 4-[(3-ethyl-4-methyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonate Openeye Name: 4-[(3-ethyl-4-methyl-thiazol-3-ium-2-yl)amino]benzenesulfonate CAS Name: 4-[(3-ethyl-4-methyl-2-thiazol-3-iumyl)amino]benzenesulfonate IUPAC Name: 4-[(3-ethyl-4-methyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonate Traditional Name: 4-[(3-ethyl-4-methyl-thiazol-3-ium-2-yl)amino]besylate Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C)NC2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC=C1C)NC2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C12H14N2O3S2/c1-3-14-9(2)8-18-12(14)13-10-4-6-11(7-5-10)19(15,16)17/h4-8H,3H2,1-2H3,(H,15,16,17)