methyl 4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-(2-fluoranyl-4-nitro-phenyl)butanoate

Systemtic Name: methyl 4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-(2-fluoranyl-4-nitro-phenyl)butanoate Openeye Name: methyl 4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-(2-fluoro-4-nitro-phenyl)butanoate CAS Name: 4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-(2-fluoro-4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]-2-(2-fluoro-4-nitrophenyl)butanoate Traditional Name: 4-[bis(p-anisyl)sulfamoyl]-2-(2-fluoro-4-nitro-phenyl)butyric acid methyl ester Formula: C27H29FN2O8S MolecularWeight: 560.591163

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)CCC(C3=C(C=C(C=C3)[N+](=O)[O-])F)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)S(=O)(=O)CCC(C3=C(C=C(C=C3)[N+](=O)[O-])F)C(=O)OC

InChI

InChI=1S/C27H29FN2O8S/c1-36-22-9-4-19(5-10-22)17-29(18-20-6-11-23(37-2)12-7-20)39(34,35)15-14-25(27(31)38-3)24-13-8-21(30(32)33)16-26(24)28/h4-13,16,25H,14-15,17-18H2,1-3H3