2-(3,5-dimethylphenoxy)ethyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-ethanoylphenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetylphenyl)sulfonyl-methylamino]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetylphenyl)sulfonyl-methyl-amino]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C(=O)C)C

InChI

InChI=1S/C21H25NO6S/c1-15-11-16(2)13-19(12-15)27-9-10-28-21(24)14-22(4)29(25,26)20-7-5-18(6-8-20)17(3)23/h5-8,11-13H,9-10,14H2,1-4H3