[3-[carbamimidoyl(propylamino)amino]oxy-5-methyl-phenyl] 2-(trifluoromethyl)benzenesulfonate

Systemtic Name: [3-[carbamimidoyl(propylamino)amino]oxy-5-methyl-phenyl] 2-(trifluoromethyl)benzenesulfonate Openeye Name: [3-[carbamimidoyl(propylamino)amino]oxy-5-methyl-phenyl] 2-(trifluoromethyl)benzenesulfonate CAS Name: 2-(trifluoromethyl)benzenesulfonic acid [3-[carbamimidoyl(propylamino)amino]oxy-5-methylphenyl] ester IUPAC Name: [3-[carbamimidoyl(propylamino)amino]oxy-5-methylphenyl] 2-(trifluoromethyl)benzenesulfonate Traditional Name: 2-(trifluoromethyl)benzenesulfonic acid [3-[amidino(propylamino)amino]oxy-5-methyl-phenyl] ester Formula: C18H21F3N4O4S MolecularWeight: 446.44395

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Descriptors Computed from Structure

Canonical SMILES:

CCCNN(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCCNN(C(=N)N)OC1=CC(=CC(=C1)C)OS(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H21F3N4O4S/c1-3-8-24-25(17(22)23)28-13-9-12(2)10-14(11-13)29-30(26,27)16-7-5-4-6-15(16)18(19,20)21/h4-7,9-11,24H,3,8H2,1-2H3,(H3,22,23)