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

Systemtic Name: 4-methyl-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethylsulfonyl]benzoic acid Openeye Name: 4-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]benzoic acid CAS Name: 4-methyl-3-[2-(2-oxo-1-imidazolidinyl)ethylsulfonyl]benzoic acid IUPAC Name: 4-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethylsulfonyl]benzoic acid Traditional Name: 3-[2-(2-ketoimidazolidin-1-yl)ethylsulfonyl]-4-methyl-benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2CCNC2=O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CCN2CCNC2=O

InChI

InChI=1S/C13H16N2O5S/c1-9-2-3-10(12(16)17)8-11(9)21(19,20)7-6-15-5-4-14-13(15)18/h2-3,8H,4-7H2,1H3,(H,14,18)(H,16,17)