[(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1R)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1R)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C22H27NO5S/c1-16(28-21(25)18-11-13-19(14-12-18)29(5,26)27)20(24)23(22(2,3)4)15-17-9-7-6-8-10-17/h6-14,16H,15H2,1-5H3/t16-/m1/s1