[2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate

Systemtic Name: [2-[(4-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl] 3-methoxy-4-phenylmethoxy-benzoate Openeye Name: [2-(4-methylsulfonylanilino)-2-oxo-ethyl] 4-benzyloxy-3-methoxy-benzoate CAS Name: 3-methoxy-4-phenylmethoxybenzoic acid [2-(4-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylanilino)-2-oxoethyl] 3-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-3-methoxy-benzoic acid [2-keto-2-(4-mesylanilino)ethyl] ester Formula: C24H23NO7S MolecularWeight: 469.50692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23NO7S/c1-30-22-14-18(8-13-21(22)31-15-17-6-4-3-5-7-17)24(27)32-16-23(26)25-19-9-11-20(12-10-19)33(2,28)29/h3-14H,15-16H2,1-2H3,(H,25,26)