[3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 4-(ethylsulfamoyl)-1,3-benzodioxole-5-sulfonate hydrochloride

Systemtic Name: [3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-phenyl] 4-(ethylsulfamoyl)-1,3-benzodioxole-5-sulfonate hydrochloride Openeye Name: [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] 4-(ethylsulfamoyl)-1,3-benzodioxole-5-sulfonate hydrochloride CAS Name: 4-(ethylsulfamoyl)-1,3-benzodioxole-5-sulfonic acid [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] ester hydrochloride IUPAC Name: [3-[3-(diaminomethylideneamino)oxypropoxy]-5-methylphenyl] 4-(ethylsulfamoyl)-1,3-benzodioxole-5-sulfonate hydrochloride Traditional Name: 4-(ethylsulfamoyl)-1,3-benzodioxole-5-sulfonic acid [3-(3-guanidinooxypropoxy)-5-methyl-phenyl] ester hydrochloride Formula: C20H27ClN4O9S2 MolecularWeight: 567.03278

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=C(C=CC2=C1OCO2)S(=O)(=O)OC3=CC(=CC(=C3)OCCCON=C(N)N)C.Cl

Isomeric SMILES

CCNS(=O)(=O)C1=C(C=CC2=C1OCO2)S(=O)(=O)OC3=CC(=CC(=C3)OCCCON=C(N)N)C.Cl

InChI

InChI=1S/C20H26N4O9S2.ClH/c1-3-23-34(25,26)19-17(6-5-16-18(19)31-12-30-16)35(27,28)33-15-10-13(2)9-14(11-15)29-7-4-8-32-24-20(21)22;/h5-6,9-11,23H,3-4,7-8,12H2,1-2H3,(H4,21,22,24);1H