[3-[3-[bis(azanyl)methylideneamino]oxy-2-fluoranyl-propoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxy-2-fluoranyl-propoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(2-fluoro-3-guanidinooxy-propoxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[3-(diaminomethylideneamino)oxy-2-fluoropropoxy]-5-methylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxy-2-fluoropropoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(2-fluoro-3-guanidinooxy-propoxy)-5-methyl-phenyl] ester Formula: C18H22FN3O7S2 MolecularWeight: 475.511583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC(CON=C(N)N)F

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCC(CON=C(N)N)F

InChI

InChI=1S/C18H22FN3O7S2/c1-12-7-14(27-10-13(19)11-28-22-18(20)21)9-15(8-12)29-31(25,26)17-6-4-3-5-16(17)30(2,23)24/h3-9,13H,10-11H2,1-2H3,(H4,20,21,22)