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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-11(2)8-16-14(17)9-21-15(18)13-6-4-12(5-7-13)10-22(3,19)20/h4-7,11H,8-10H2,1-3H3,(H,16,17)