[2-(butylamino)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C

InChI

InChI=1S/C15H21NO5S/c1-3-4-9-16-14(17)10-21-15(18)13-7-5-12(6-8-13)11-22(2,19)20/h5-8H,3-4,9-11H2,1-2H3,(H,16,17)