[2-oxidanylidene-2-(pentylamino)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-3-4-5-10-16-14(17)11-21-15(18)12-6-8-13(9-7-12)22(2,19)20/h6-9H,3-5,10-11H2,1-2H3,(H,16,17)