[2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-[2-(4-bromobenzoyl)hydrazino]-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[[(4-bromophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-[N'-(4-bromobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C17H15BrN2O6S MolecularWeight: 455.2798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC(=O)NNC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H15BrN2O6S/c1-27(24,25)14-4-2-3-12(9-14)17(23)26-10-15(21)19-20-16(22)11-5-7-13(18)8-6-11/h2-9H,10H2,1H3,(H,19,21)(H,20,22)