[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)CS(=O)(=O)C

InChI

InChI=1S/C21H25NO5S/c1-16(8-9-17-6-4-3-5-7-17)22-20(23)14-27-21(24)19-12-10-18(11-13-19)15-28(2,25)26/h3-7,10-13,16H,8-9,14-15H2,1-2H3,(H,22,23)/t16-/m1/s1