[3-[2-[bis(azanyl)methylideneamino]oxyethoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[2-[bis(azanyl)methylideneamino]oxyethoxy]-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-(2-guanidinooxyethoxy)-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[2-(diaminomethylideneamino)oxyethoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-(diaminomethylideneamino)oxyethoxy]-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-(2-guanidinooxyethoxy)-5-methyl-phenyl] ester Formula: C17H21N3O7S2 MolecularWeight: 443.49454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S2/c1-12-9-13(25-7-8-26-20-17(18)19)11-14(10-12)27-29(23,24)16-6-4-3-5-15(16)28(2,21)22/h3-6,9-11H,7-8H2,1-2H3,(H4,18,19,20)