methyl 6-[[2,5-bis(fluoranyl)phenyl]carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate

Systemtic Name: methyl 6-[[2,5-bis(fluoranyl)phenyl]carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Openeye Name: methyl 6-[(2,5-difluorophenyl)carbamoylamino]-2-(p-tolylsulfonylamino)hexanoate CAS Name: 6-[[(2,5-difluoroanilino)-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(2,5-difluorophenyl)carbamoylamino]-2-[(4-methylphenyl)sulfonylamino]hexanoate Traditional Name: 6-[(2,5-difluorophenyl)carbamoylamino]-2-(tosylamino)hexanoic acid methyl ester Formula: C21H25F2N3O5S MolecularWeight: 469.502106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=C(C=CC(=C2)F)F)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCNC(=O)NC2=C(C=CC(=C2)F)F)C(=O)OC

InChI

InChI=1S/C21H25F2N3O5S/c1-14-6-9-16(10-7-14)32(29,30)26-18(20(27)31-2)5-3-4-12-24-21(28)25-19-13-15(22)8-11-17(19)23/h6-11,13,18,26H,3-5,12H2,1-2H3,(H2,24,25,28)