[4-methyl-2-[[(E)-N'-oxidanylcarbamimidoyl]-propoxy-amino]oxy-phenyl] 3-methylsulfonylbenzenesulfonate

Systemtic Name: [4-methyl-2-[[(E)-N'-oxidanylcarbamimidoyl]-propoxy-amino]oxy-phenyl] 3-methylsulfonylbenzenesulfonate Openeye Name: [2-[[(E)-N'-hydroxycarbamimidoyl]-propoxy-amino]oxy-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate CAS Name: 3-methylsulfonylbenzenesulfonic acid [2-[[(E)-amino(hydroxyimino)methyl]-propoxyamino]oxy-4-methylphenyl] ester IUPAC Name: [2-[[(E)-N'-hydroxycarbamimidoyl]-propoxyamino]oxy-4-methylphenyl] 3-methylsulfonylbenzenesulfonate Traditional Name: 3-mesylbenzenesulfonic acid [2-[[(E)-aminocarbohydroximoyl]-propoxy-amino]oxy-4-methyl-phenyl] ester Formula: C18H23N3O8S2 MolecularWeight: 473.52052

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=NO)N)OC1=C(C=CC(=C1)C)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C

Isomeric SMILES

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

InChI

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