ethyl 3-[4-(3,4-dimethoxyphenyl)butanoyl-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[4-(3,4-dimethoxyphenyl)butanoyl-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[4-(3,4-dimethoxyphenyl)butanoyl-methylsulfonyl-amino]benzoate CAS Name: 3-[[4-(3,4-dimethoxyphenyl)-1-oxobutyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(3,4-dimethoxyphenyl)butanoyl-methylsulfonylamino]benzoate Traditional Name: 3-[4-(3,4-dimethoxyphenyl)butanoyl-mesyl-amino]benzoic acid ethyl ester Formula: C22H27NO7S MolecularWeight: 449.51728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCCC2=CC(=C(C=C2)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C22H27NO7S/c1-5-30-22(25)17-9-7-10-18(15-17)23(31(4,26)27)21(24)11-6-8-16-12-13-19(28-2)20(14-16)29-3/h7,9-10,12-15H,5-6,8,11H2,1-4H3