[1-methyl-3-oxidanidyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate

Systemtic Name: [1-methyl-3-oxidanidyl-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate Openeye Name: [1-methyl-3-oxido-3-(5-propylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [1-methyl-3-oxido-3-(5-propylsulfonyl-2-thiazolyl)-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-methyl-3-oxido-3-(5-propylsulfonyl-1,3-thiazol-2-yl)imidazolidin-3-ium-4-yl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [1-methyl-3-oxido-3-(5-propylsulfonylthiazol-2-yl)imidazolidin-3-ium-4-yl] ester Formula: C18H20F3N3O5S2 MolecularWeight: 479.49371

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=CN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)C(F)(F)F)C)[O-]

Isomeric SMILES

CCCS(=O)(=O)C1=CN=C(S1)[N+]2(CN(CC2OC(=O)C3=CC=C(C=C3)C(F)(F)F)C)[O-]

InChI

InChI=1S/C18H20F3N3O5S2/c1-3-8-31(27,28)15-9-22-17(30-15)24(26)11-23(2)10-14(24)29-16(25)12-4-6-13(7-5-12)18(19,20)21/h4-7,9,14H,3,8,10-11H2,1-2H3