[2-oxidanylidene-2-(pentylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C16H23NO5S/c1-4-5-6-9-17-15(18)11-22-16(19)14-10-13(23(3,20)21)8-7-12(14)2/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,18)