[4-(hydroxymethyloxymethylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(hydroxymethyloxymethylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(hydroxymethoxymethylsulfamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(hydroxymethoxymethylsulfamoyl)phenyl] ester IUPAC Name: [4-(hydroxymethoxymethylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(methyloloxymethylsulfamoyl)phenyl] ester Formula: C16H18N4O6S MolecularWeight: 394.40232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S(=O)(=O)NCOCO)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)S(=O)(=O)NCOCO)N=C(N)N

InChI

InChI=1S/C16H18N4O6S/c17-16(18)20-12-3-1-11(2-4-12)15(22)26-13-5-7-14(8-6-13)27(23,24)19-9-25-10-21/h1-8,19,21H,9-10H2,(H4,17,18,20)