[1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate

Systemtic Name: [1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chloranyl-benzoate Openeye Name: [1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 3-(azepan-1-ylsulfonyl)-4-chloro-benzoate CAS Name: 3-(1-azepanylsulfonyl)-4-chlorobenzoic acid [1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C19H24ClN3O6S MolecularWeight: 457.92836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C(=O)N1CCNC1=O)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C19H24ClN3O6S/c1-13(17(24)23-11-8-21-19(23)26)29-18(25)14-6-7-15(20)16(12-14)30(27,28)22-9-4-2-3-5-10-22/h6-7,12-13H,2-5,8-11H2,1H3,(H,21,26)