methyl 4-[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(p-tolylsulfonyl)propanoyloxy]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(4-methylphenyl)sulfonyl-1-oxopropoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-methylphenyl)sulfonylpropanoyloxy]acetyl]amino]benzoate Traditional Name: 4-[[2-(3-tosylpropanoyloxy)acetyl]amino]benzoic acid methyl ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21NO7S/c1-14-3-9-17(10-4-14)29(25,26)12-11-19(23)28-13-18(22)21-16-7-5-15(6-8-16)20(24)27-2/h3-10H,11-13H2,1-2H3,(H,21,22)