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

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)C1=CC=C(C=C1)CS(=O)(=O)C

InChI

InChI=1S/C18H27NO5S/c1-12(2)19(13(3)4)17(20)14(5)24-18(21)16-9-7-15(8-10-16)11-25(6,22)23/h7-10,12-14H,11H2,1-6H3/t14-/m0/s1