[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate CAS Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate Traditional Name: 2-(2,5-dimethylphenyl)sulfonyloxybenzoic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC=CC=C1OS(=O)(=O)C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H27NO6S/c1-5-8-17(4)23-21(24)14-28-22(25)18-9-6-7-10-19(18)29-30(26,27)20-13-15(2)11-12-16(20)3/h6-7,9-13,17H,5,8,14H2,1-4H3,(H,23,24)/t17-/m0/s1