[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-ethyl-5-(3-guanidinooxypropoxy)phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-ethylphenyl] ester IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-ethylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-ethyl-5-(3-guanidinooxypropoxy)phenyl] ester Formula: C19H25N3O7S2 MolecularWeight: 471.5477

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON=C(N)N

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C)OCCCON=C(N)N

InChI

InChI=1S/C19H25N3O7S2/c1-3-14-11-15(27-9-6-10-28-22-19(20)21)13-16(12-14)29-31(25,26)18-8-5-4-7-17(18)30(2,23)24/h4-5,7-8,11-13H,3,6,9-10H2,1-2H3,(H4,20,21,22)