ethyl 3-[[2-(2-methylsulfonyloxypropanoyloxy)phenyl]methyl-pentanoyl-amino]benzoate

Systemtic Name: ethyl 3-[[2-(2-methylsulfonyloxypropanoyloxy)phenyl]methyl-pentanoyl-amino]benzoate Openeye Name: ethyl 3-[[2-(2-methylsulfonyloxypropanoyloxy)phenyl]methyl-pentanoyl-amino]benzoate CAS Name: 3-[[2-(2-methylsulfonyloxy-1-oxopropoxy)phenyl]methyl-(1-oxopentyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2-methylsulfonyloxypropanoyloxy)phenyl]methyl-pentanoylamino]benzoate Traditional Name: 3-[[2-(2-methylsulfonyloxypropanoyloxy)benzyl]-valeryl-amino]benzoic acid ethyl ester Formula: C25H31NO8S MolecularWeight: 505.58054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1OC(=O)C(C)OS(=O)(=O)C)C2=CC=CC(=C2)C(=O)OCC

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1OC(=O)C(C)OS(=O)(=O)C)C2=CC=CC(=C2)C(=O)OCC

InChI

InChI=1S/C25H31NO8S/c1-5-7-15-23(27)26(21-13-10-12-19(16-21)25(29)32-6-2)17-20-11-8-9-14-22(20)33-24(28)18(3)34-35(4,30)31/h8-14,16,18H,5-7,15,17H2,1-4H3