[(2S,3R)-1-[(4-methoxyphenyl)amino]-2,4-dimethyl-1-oxidanylidene-pentan-3-yl] benzenesulfonate

Systemtic Name: [(2S,3R)-1-[(4-methoxyphenyl)amino]-2,4-dimethyl-1-oxidanylidene-pentan-3-yl] benzenesulfonate Openeye Name: [(1R,2S)-1-isopropyl-3-(4-methoxyanilino)-2-methyl-3-oxo-propyl] benzenesulfonate CAS Name: benzenesulfonic acid [(2S,3R)-1-(4-methoxyanilino)-2,4-dimethyl-1-oxopentan-3-yl] ester IUPAC Name: [(2S,3R)-1-(4-methoxyanilino)-2,4-dimethyl-1-oxopentan-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [(1R,2S)-1-isopropyl-3-keto-2-methyl-3-(p-anisidino)propyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C(=O)NC1=CC=C(C=C1)OC)OS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C[C@@H]([C@@H](C(C)C)OS(=O)(=O)C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H25NO5S/c1-14(2)19(26-27(23,24)18-8-6-5-7-9-18)15(3)20(22)21-16-10-12-17(25-4)13-11-16/h5-15,19H,1-4H3,(H,21,22)/t15-,19+/m0/s1