[3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(phenylsulfonyl)benzenesulfonate

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(phenylsulfonyl)benzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] 2-(benzenesulfonyl)benzenesulfonate CAS Name: 2-(benzenesulfonyl)benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] 2-(benzenesulfonyl)benzenesulfonate Traditional Name: 2-besylbenzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C23H25N3O7S2 MolecularWeight: 519.5905

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Descriptors Computed from Structure

Canonical SMILES:

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCON(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O7S2/c1-3-13-31-26(23(24)25)32-18-14-17(2)15-19(16-18)33-35(29,30)22-12-8-7-11-21(22)34(27,28)20-9-5-4-6-10-20/h4-12,14-16H,3,13H2,1-2H3,(H3,24,25)