ethyl (1S,2S)-1-[4-(4-methylsulfonylphenoxy)phenyl]-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2S)-1-[4-(4-methylsulfonylphenoxy)phenyl]-2-(oxidanylcarbamoyl)cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2S)-2-(hydroxycarbamoyl)-1-[4-(4-methylsulfonylphenoxy)phenyl]cyclopropanecarboxylate CAS Name: (1S,2S)-2-[(hydroxyamino)-oxomethyl]-1-[4-(4-methylsulfonylphenoxy)phenyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2S)-2-(hydroxycarbamoyl)-1-[4-(4-methylsulfonylphenoxy)phenyl]cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-(hydroxycarbamoyl)-1-[4-(4-mesylphenoxy)phenyl]cyclopropanecarboxylic acid ethyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1C(=O)NO)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)[C@]1(C[C@@H]1C(=O)NO)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21NO7S/c1-3-27-19(23)20(12-17(20)18(22)21-24)13-4-6-14(7-5-13)28-15-8-10-16(11-9-15)29(2,25)26/h4-11,17,24H,3,12H2,1-2H3,(H,21,22)/t17-,20-/m1/s1