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

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C22H27NO5S/c1-4-8-20(18-9-6-5-7-10-18)23-21(24)16(2)28-22(25)19-13-11-17(12-14-19)15-29(3,26)27/h5-7,9-14,16,20H,4,8,15H2,1-3H3,(H,23,24)/t16-,20+/m0/s1