ethyl 3-[[4-[4-[[[2,4-bis(fluoranyl)phenyl]methyl-[2-methyl-3-(methylsulfonylamino)phenyl]amino]methyl]phenoxy]phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[4-[4-[[[2,4-bis(fluoranyl)phenyl]methyl-[2-methyl-3-(methylsulfonylamino)phenyl]amino]methyl]phenoxy]phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[4-[4-[[N-[(2,4-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]benzoyl]amino]propanoate CAS Name: 3-[[[4-[4-[[N-[(2,4-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]phenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[4-[[N-[(2,4-difluorophenyl)methyl]-3-(methanesulfonamido)-2-methylanilino]methyl]phenoxy]benzoyl]amino]propanoate Traditional Name: 3-[[4-[4-[[N-(2,4-difluorobenzyl)-3-(methanesulfonamido)-2-methyl-anilino]methyl]phenoxy]benzoyl]amino]propionic acid ethyl ester Formula: C34H35F2N3O6S MolecularWeight: 651.720006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=CC=CC(=C4C)NS(=O)(=O)C

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)CN(CC3=C(C=C(C=C3)F)F)C4=CC=CC(=C4C)NS(=O)(=O)C

InChI

InChI=1S/C34H35F2N3O6S/c1-4-44-33(40)18-19-37-34(41)25-11-16-29(17-12-25)45-28-14-8-24(9-15-28)21-39(22-26-10-13-27(35)20-30(26)36)32-7-5-6-31(23(32)2)38-46(3,42)43/h5-17,20,38H,4,18-19,21-22H2,1-3H3,(H,37,41)