[3-[carbamimidoyl(ethoxy)amino]oxy-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[carbamimidoyl(ethoxy)amino]oxy-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate Openeye Name: [3-[carbamimidoyl(ethoxy)amino]oxy-5-methyl-phenyl] 2-methylsulfonylbenzenesulfonate CAS Name: 2-methylsulfonylbenzenesulfonic acid [3-[carbamimidoyl(ethoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(ethoxy)amino]oxy-5-methylphenyl] 2-methylsulfonylbenzenesulfonate Traditional Name: 2-mesylbenzenesulfonic acid [3-[amidino(ethoxy)amino]oxy-5-methyl-phenyl] ester Formula: C17H21N3O7S2 MolecularWeight: 443.49454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S2/c1-4-25-20(17(18)19)26-13-9-12(2)10-14(11-13)27-29(23,24)16-8-6-5-7-15(16)28(3,21)22/h5-11H,4H2,1-3H3,(H3,18,19)