[4-(2-hydroxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate

Systemtic Name: [4-(2-hydroxyethylsulfanyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate; methanesulfonate Openeye Name: [4-(2-hydroxyethylsulfanyl)phenyl] 4-guanidinobenzoate; methanesulfonate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-hydroxyethylthio)phenyl] ester; methanesulfonate IUPAC Name: [4-(2-hydroxyethylsulfanyl)phenyl] 4-(diaminomethylideneamino)benzoate; methanesulfonate Traditional Name: 4-guanidinobenzoic acid [4-(2-hydroxyethylthio)phenyl] ester mesylate Formula: C17H20N3O6S2- MolecularWeight: 426.4872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)SCCO)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)SCCO)N=C(N)N

InChI

InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)19-12-3-1-11(2-4-12)15(21)22-13-5-7-14(8-6-13)23-10-9-20;1-5(2,3)4/h1-8,20H,9-10H2,(H4,17,18,19);1H3,(H,2,3,4)/p-1