2-[2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxyphenyl]ethanoate; methanesulfonate

Systemtic Name: 2-[2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxyphenyl]ethanoate; methanesulfonate Openeye Name: 2-[2-(4-guanidinobenzoyl)oxyphenyl]acetate; methanesulfonate CAS Name: 2-[2-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]phenyl]acetate; methanesulfonate IUPAC Name: 2-[2-[4-(diaminomethylideneamino)benzoyl]oxyphenyl]acetate; methanesulfonate Traditional Name: 2-[2-(4-guanidinobenzoyl)oxyphenyl]acetate mesylate Formula: C17H17N3O7S-2 MolecularWeight: 407.39778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C(=C1)CC(=O)[O-])OC(=O)C2=CC=C(C=C2)N=C(N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C(=C1)CC(=O)[O-])OC(=O)C2=CC=C(C=C2)N=C(N)N

InChI

InChI=1S/C16H15N3O4.CH4O3S/c17-16(18)19-12-7-5-10(6-8-12)15(22)23-13-4-2-1-3-11(13)9-14(20)21;1-5(2,3)4/h1-8H,9H2,(H,20,21)(H4,17,18,19);1H3,(H,2,3,4)/p-2