[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H26FNO6S MolecularWeight: 451.508343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C22H26FNO6S/c1-14(2)11-19(24-31(27,28)17-8-5-15(3)6-9-17)22(26)30-13-20(25)18-12-16(23)7-10-21(18)29-4/h5-10,12,14,19,24H,11,13H2,1-4H3