2-[2-[[ethanoyl-(5-fluoranyl-2-phenoxy-phenyl)amino]methyl]-4-methoxy-phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[[ethanoyl-(5-fluoranyl-2-phenoxy-phenyl)amino]methyl]-4-methoxy-phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[(N-acetyl-5-fluoro-2-phenoxy-anilino)methyl]-4-methoxy-phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[(N-acetyl-5-fluoro-2-phenoxyanilino)methyl]-4-methoxyphenoxy]ethyl ester IUPAC Name: 2-[2-[(N-acetyl-5-fluoro-2-phenoxyanilino)methyl]-4-methoxyphenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[(N-acetyl-5-fluoro-2-phenoxy-anilino)methyl]-4-methoxy-phenoxy]ethyl ester Formula: C31H30FNO7S MolecularWeight: 579.635803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2)OC)CN(C3=C(C=CC(=C3)F)OC4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=C(C=C(C=C2)OC)CN(C3=C(C=CC(=C3)F)OC4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C31H30FNO7S/c1-22-9-13-28(14-10-22)41(35,36)39-18-17-38-30-16-12-27(37-3)19-24(30)21-33(23(2)34)29-20-25(32)11-15-31(29)40-26-7-5-4-6-8-26/h4-16,19-20H,17-18,21H2,1-3H3