[2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate

Systemtic Name: [2-[(2-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Openeye Name: [2-[(2-fluorophenyl)methylamino]-2-oxo-ethyl] 4-methyl-2-(p-tolylsulfonylamino)pentanoate CAS Name: 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoic acid [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 4-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate Traditional Name: 4-methyl-2-(tosylamino)valeric acid [2-[(2-fluorobenzyl)amino]-2-keto-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)OCC(=O)NCC2=CC=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CC(C)C)C(=O)OCC(=O)NCC2=CC=CC=C2F

InChI

InChI=1S/C22H27FN2O5S/c1-15(2)12-20(25-31(28,29)18-10-8-16(3)9-11-18)22(27)30-14-21(26)24-13-17-6-4-5-7-19(17)23/h4-11,15,20,25H,12-14H2,1-3H3,(H,24,26)