4-chloranyl-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfonyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfonyl]benzoic acid Openeye Name: 4-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]benzoic acid CAS Name: 4-chloro-3-[2-(2-oxo-1-imidazolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]benzoic acid Traditional Name: 4-chloro-3-[2-(2-ketoimidazolidin-1-yl)ethylsulfonyl]benzoic acid Formula: C12H13ClN2O5S MolecularWeight: 332.76002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)CCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

C1CN(C(=O)N1)CCS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C12H13ClN2O5S/c13-9-2-1-8(11(16)17)7-10(9)21(19,20)6-5-15-4-3-14-12(15)18/h1-2,7H,3-6H2,(H,14,18)(H,16,17)