[3-[1-[(N'-methyl-N-oxidanyl-carbamimidoyl)amino]oxypropoxy]phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [3-[1-[(N'-methyl-N-oxidanyl-carbamimidoyl)amino]oxypropoxy]phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [3-[1-[(N-hydroxy-N'-methyl-carbamimidoyl)amino]oxypropoxy]phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [3-[1-[[(hydroxyamino)-methyliminomethyl]amino]oxypropoxy]phenyl] ester IUPAC Name: [3-[1-[(N-hydroxy-N'-methylcarbamimidoyl)amino]oxypropoxy]phenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [3-[1-[(N-hydroxy-N'-methyl-amidino)amino]oxypropoxy]phenyl] ester Formula: C18H23N3O8S2 MolecularWeight: 473.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCC(OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)ONC(=NC)NO

Isomeric SMILES

CCC(OC1=CC(=CC=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)ONC(=NC)NO

InChI

InChI=1S/C18H23N3O8S2/c1-4-17(28-21-18(19-2)20-22)27-13-7-5-8-14(11-13)29-31(25,26)16-10-6-9-15(12-16)30(3,23)24/h5-12,17,22H,4H2,1-3H3,(H2,19,20,21)