[2-(butylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C21H25NO6S/c1-4-5-12-22-20(23)14-27-21(24)17-8-6-7-9-18(17)28-29(25,26)19-13-15(2)10-11-16(19)3/h6-11,13H,4-5,12,14H2,1-3H3,(H,22,23)