[3-[2-[[bis(azanyl)methylideneamino]oxymethyl]prop-2-enoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[2-[[bis(azanyl)methylideneamino]oxymethyl]prop-2-enoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[2-(guanidinooxymethyl)allyloxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[2-[(diaminomethylideneamino)oxymethyl]prop-2-enoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-[(diaminomethylideneamino)oxymethyl]prop-2-enoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-[2-(guanidinooxymethyl)allyloxy]-5-methyl-phenyl] ester Formula: C19H23N3O7S2 MolecularWeight: 469.53182

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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(=C)CON=C(N)N

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O7S2/c1-13-8-15(27-11-14(2)12-28-22-19(20)21)10-16(9-13)29-31(25,26)18-7-5-4-6-17(18)30(3,23)24/h4-10H,2,11-12H2,1,3H3,(H4,20,21,22)