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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-3-4-9-15-13(16)10-20-14(17)11-5-7-12(8-6-11)21(2,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)