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

Systemtic Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] benzenesulfonate Openeye Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propoxy)amino]oxy-5-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[amidino(propoxy)amino]oxy-5-methyl-phenyl] ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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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=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-3-9-23-20(17(18)19)24-14-10-13(2)11-15(12-14)25-26(21,22)16-7-5-4-6-8-16/h4-8,10-12H,3,9H2,1-2H3,(H3,18,19)