[(2R)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-[bis(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-2-(dibenzylamino)-1-methyl-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2R)-1-[bis(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(dibenzylamino)-1-oxopropan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1R)-2-(dibenzylamino)-2-keto-1-methyl-ethyl] ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C26H27NO5S/c1-19-14-15-23(33(3,30)31)16-24(19)26(29)32-20(2)25(28)27(17-21-10-6-4-7-11-21)18-22-12-8-5-9-13-22/h4-16,20H,17-18H2,1-3H3/t20-/m1/s1