methanesulfonate; [2-(phenylcarbonyl)phenyl] 2-(3-acetyloxy-4-carbamimidoyl-phenyl)propanoate

Systemtic Name: methanesulfonate; [2-(phenylcarbonyl)phenyl] 2-(3-acetyloxy-4-carbamimidoyl-phenyl)propanoate Openeye Name: (2-benzoylphenyl) 2-(3-acetoxy-4-carbamimidoyl-phenyl)propanoate; methanesulfonate CAS Name: 2-(3-acetyloxy-4-carbamimidoylphenyl)propanoic acid (2-benzoylphenyl) ester; methanesulfonate IUPAC Name: (2-benzoylphenyl) 2-(3-acetyloxy-4-carbamimidoylphenyl)propanoate; methanesulfonate Traditional Name: 2-(3-acetoxy-4-amidino-phenyl)propionic acid (2-benzoylphenyl) ester mesylate Formula: C26H25N2O8S- MolecularWeight: 525.5503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C(=N)N)OC(=O)C)C(=O)OC2=CC=CC=C2C(=O)C3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C1=CC(=C(C=C1)C(=N)N)OC(=O)C)C(=O)OC2=CC=CC=C2C(=O)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H22N2O5.CH4O3S/c1-15(18-12-13-20(24(26)27)22(14-18)31-16(2)28)25(30)32-21-11-7-6-10-19(21)23(29)17-8-4-3-5-9-17;1-5(2,3)4/h3-15H,1-2H3,(H3,26,27);1H3,(H,2,3,4)/p-1