[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1S)-2-(2-isopropylanilino)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-14(2)18-7-5-6-8-19(18)22-20(23)15(3)27-21(24)17-11-9-16(10-12-17)13-28(4,25)26/h5-12,14-15H,13H2,1-4H3,(H,22,23)/t15-/m0/s1