[2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C20H21NO7S/c1-27-20(24)17(12-14-6-4-3-5-7-14)21-18(22)13-28-19(23)15-8-10-16(11-9-15)29(2,25)26/h3-11,17H,12-13H2,1-2H3,(H,21,22)/t17-/m0/s1