[3-[carbamimidoyl(propoxy)amino]oxy-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-ethyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-ethylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-ethylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-ethyl-phenyl] ester Formula: C19H25N3O7S2 MolecularWeight: 471.5477

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC(=CC(=C1)CC)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)CC)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C19H25N3O7S2/c1-4-10-27-22(19(20)21)28-15-11-14(5-2)12-16(13-15)29-31(25,26)18-9-7-6-8-17(18)30(3,23)24/h6-9,11-13H,4-5,10H2,1-3H3,(H3,20,21)