[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-methylsulfonylbenzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C15H21NO5S/c1-10(2)9-16-14(17)11(3)21-15(18)12-7-5-6-8-13(12)22(4,19)20/h5-8,10-11H,9H2,1-4H3,(H,16,17)/t11-/m0/s1