[1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-fluoroanilino)-1-oxopropan-2-yl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid [2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC(C)C(=O)NC2=CC=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OC(C)C(=O)NC2=CC=CC=C2F

InChI

InChI=1S/C22H27FN2O5S/c1-14(2)13-20(25-31(28,29)17-11-9-15(3)10-12-17)22(27)30-16(4)21(26)24-19-8-6-5-7-18(19)23/h5-12,14,16,20,25H,13H2,1-4H3,(H,24,26)