methanesulfonic acid; [4-(methylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: methanesulfonic acid; [4-(methylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: methanesulfonic acid; [4-(methylsulfamoyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(methylsulfamoyl)phenyl] ester; methanesulfonic acid IUPAC Name: methanesulfonic acid; [4-(methylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(methylsulfamoyl)phenyl] ester; mesylic acid Formula: C16H20N4O7S2 MolecularWeight: 444.4826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C15H16N4O4S.CH4O3S/c1-18-24(21,22)13-8-6-12(7-9-13)23-14(20)10-2-4-11(5-3-10)19-15(16)17;1-5(2,3)4/h2-9,18H,1H3,(H4,16,17,19);1H3,(H,2,3,4)