methyl 3-methylsulfonyl-4-[(1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)amino]oxy-benzoate

Systemtic Name: methyl 3-methylsulfonyl-4-[(1-oxidanylidene-3-phenyl-1-phenylmethoxy-propan-2-yl)amino]oxy-benzoate Openeye Name: methyl 4-[(1-benzyl-2-benzyloxy-2-oxo-ethyl)amino]oxy-3-methylsulfonyl-benzoate CAS Name: 3-methylsulfonyl-4-[(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)amino]oxybenzoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyl-4-[(1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl)amino]oxybenzoate Traditional Name: 4-[(2-benzoxy-1-benzyl-2-keto-ethyl)amino]oxy-3-mesyl-benzoic acid methyl ester Formula: C25H25NO7S MolecularWeight: 483.5335

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)ONC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)ONC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C25H25NO7S/c1-31-24(27)20-13-14-22(23(16-20)34(2,29)30)33-26-21(15-18-9-5-3-6-10-18)25(28)32-17-19-11-7-4-8-12-19/h3-14,16,21,26H,15,17H2,1-2H3