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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

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