ethyl 4-[(4-ethoxy-3-methylsulfonyl-4-oxidanylidene-butanoyl)-ethyl-amino]benzoate

Systemtic Name: ethyl 4-[(4-ethoxy-3-methylsulfonyl-4-oxidanylidene-butanoyl)-ethyl-amino]benzoate Openeye Name: ethyl 4-[(4-ethoxy-3-methylsulfonyl-4-oxo-butanoyl)-ethyl-amino]benzoate CAS Name: 4-[(4-ethoxy-3-methylsulfonyl-1,4-dioxobutyl)-ethylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethoxy-3-methylsulfonyl-4-oxobutanoyl)-ethylamino]benzoate Traditional Name: 4-[(4-ethoxy-4-keto-3-mesyl-butanoyl)-ethyl-amino]benzoic acid ethyl ester Formula: C18H25NO7S MolecularWeight: 399.4586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)OCC)C(=O)CC(C(=O)OCC)S(=O)(=O)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)OCC)C(=O)CC(C(=O)OCC)S(=O)(=O)C

InChI

InChI=1S/C18H25NO7S/c1-5-19(14-10-8-13(9-11-14)17(21)25-6-2)16(20)12-15(27(4,23)24)18(22)26-7-3/h8-11,15H,5-7,12H2,1-4H3