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

Systemtic Name: 4-[(3-ethyl-4-phenyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonate Openeye Name: 4-[(3-ethyl-4-phenyl-thiazol-3-ium-2-yl)amino]benzenesulfonate CAS Name: 4-[(3-ethyl-4-phenyl-2-thiazol-3-iumyl)amino]benzenesulfonate IUPAC Name: 4-[(3-ethyl-4-phenyl-1,3-thiazol-3-ium-2-yl)amino]benzenesulfonate Traditional Name: 4-[(3-ethyl-4-phenyl-thiazol-3-ium-2-yl)amino]besylate Formula: C17H16N2O3S2 MolecularWeight: 360.45054

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC=C1C2=CC=CC=C2)NC3=CC=C(C=C3)S(=O)(=O)[O-]

InChI

InChI=1S/C17H16N2O3S2/c1-2-19-16(13-6-4-3-5-7-13)12-23-17(19)18-14-8-10-15(11-9-14)24(20,21)22/h3-12H,2H2,1H3,(H,20,21,22)