[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H23NO6S/c1-3-4-20(24)22-18-11-9-16(10-12-18)19(23)13-28-21(25)17-7-5-15(6-8-17)14-29(2,26)27/h5-12H,3-4,13-14H2,1-2H3,(H,22,24)