3-[3-(dimethylcarbamoyl)-4-(4-fluoranyl-2-nitro-phenyl)sulfanyl-phenoxy]propyl methanesulfonate

Systemtic Name: 3-[3-(dimethylcarbamoyl)-4-(4-fluoranyl-2-nitro-phenyl)sulfanyl-phenoxy]propyl methanesulfonate Openeye Name: 3-[3-(dimethylcarbamoyl)-4-(4-fluoro-2-nitro-phenyl)sulfanyl-phenoxy]propyl methanesulfonate CAS Name: methanesulfonic acid 3-[3-[dimethylamino(oxo)methyl]-4-[(4-fluoro-2-nitrophenyl)thio]phenoxy]propyl ester IUPAC Name: 3-[3-(dimethylcarbamoyl)-4-(4-fluoro-2-nitrophenyl)sulfanylphenoxy]propyl methanesulfonate Traditional Name: methanesulfonic acid 3-[3-(dimethylcarbamoyl)-4-[(4-fluoro-2-nitro-phenyl)thio]phenoxy]propyl ester Formula: C19H21FN2O7S2 MolecularWeight: 472.507643

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=C(C=CC(=C1)OCCCOS(=O)(=O)C)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C1=C(C=CC(=C1)OCCCOS(=O)(=O)C)SC2=C(C=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C19H21FN2O7S2/c1-21(2)19(23)15-12-14(28-9-4-10-29-31(3,26)27)6-8-17(15)30-18-7-5-13(20)11-16(18)22(24)25/h5-8,11-12H,4,9-10H2,1-3H3