[2-[carbamimidoyl(propoxy)amino]oxy-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate hydrochloride

Systemtic Name: [2-[carbamimidoyl(propoxy)amino]oxy-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate hydrochloride Openeye Name: [2-[carbamimidoyl(propoxy)amino]oxy-4-methyl-phenyl] 3-methylsulfonylbenzenesulfonate hydrochloride CAS Name: 3-methylsulfonylbenzenesulfonic acid [2-[carbamimidoyl(propoxy)amino]oxy-4-methylphenyl] ester hydrochloride IUPAC Name: [2-[carbamimidoyl(propoxy)amino]oxy-4-methylphenyl] 3-methylsulfonylbenzenesulfonate hydrochloride Traditional Name: 3-mesylbenzenesulfonic acid [2-[amidino(propoxy)amino]oxy-4-methyl-phenyl] ester hydrochloride Formula: C18H24ClN3O7S2 MolecularWeight: 493.98206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7S2.ClH/c1-4-10-26-21(18(19)20)27-17-11-13(2)8-9-16(17)28-30(24,25)15-7-5-6-14(12-15)29(3,22)23;/h5-9,11-12H,4,10H2,1-3H3,(H3,19,20);1H