methanesulfonate; [2-(phenylcarbonyl)phenyl] 4-carbamimidoylbenzoate

Systemtic Name: methanesulfonate; [2-(phenylcarbonyl)phenyl] 4-carbamimidoylbenzoate Openeye Name: (2-benzoylphenyl) 4-carbamimidoylbenzoate; methanesulfonate CAS Name: 4-carbamimidoylbenzoic acid (2-benzoylphenyl) ester; methanesulfonate IUPAC Name: (2-benzoylphenyl) 4-carbamimidoylbenzoate; methanesulfonate Traditional Name: 4-amidinobenzoic acid (2-benzoylphenyl) ester mesylate Formula: C22H19N2O6S- MolecularWeight: 439.46106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H16N2O3.CH4O3S/c22-20(23)15-10-12-16(13-11-15)21(25)26-18-9-5-4-8-17(18)19(24)14-6-2-1-3-7-14;1-5(2,3)4/h1-13H,(H3,22,23);1H3,(H,2,3,4)/p-1