[1-butyl-3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylfuran-2-carboxylate

Systemtic Name: [1-butyl-3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-bromanylfuran-2-carboxylate Openeye Name: [1-butyl-3-(5-butylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] 4-bromofuran-2-carboxylate CAS Name: 4-bromo-2-furancarboxylic acid [1-butyl-3-(5-butylsulfonyl-2-thiazolyl)-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [1-butyl-3-(5-butylsulfonyl-1,3-thiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] 4-bromofuran-2-carboxylate Traditional Name: 4-bromofuran-2-carboxylic acid [1-butyl-3-(5-butylsulfonylthiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H26BrN3O6S2 MolecularWeight: 536.46024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCCC)[O-])OC(=O)C3=CC(=CO3)Br

Isomeric SMILES

CCCCN1CC([N+](C1)(C2=NC=C(S2)S(=O)(=O)CCCC)[O-])OC(=O)C3=CC(=CO3)Br

InChI

InChI=1S/C19H26BrN3O6S2/c1-3-5-7-22-11-16(29-18(24)15-9-14(20)12-28-15)23(25,13-22)19-21-10-17(30-19)31(26,27)8-6-4-2/h9-10,12,16H,3-8,11,13H2,1-2H3