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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)OCCCONC(=NO)N

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)OCCCON/C(=N/O)/N

InChI

InChI=1S/C18H23N3O8S2/c1-13-7-8-16(17(11-13)27-9-4-10-28-21-18(19)20-22)29-31(25,26)15-6-3-5-14(12-15)30(2,23)24/h3,5-8,11-12,22H,4,9-10H2,1-2H3,(H3,19,20,21)