methanesulfonate; [4-[2-(methylamino)ethanoyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate

Systemtic Name: methanesulfonate; [4-[2-(methylamino)ethanoyl]-2-(4-methylphenyl)carbonyloxy-phenyl] 4-methylbenzoate Openeye Name: methanesulfonate; [4-[2-(methylamino)acetyl]-2-(4-methylbenzoyl)oxy-phenyl] 4-methylbenzoate CAS Name: methanesulfonate; 4-methylbenzoic acid [4-[2-(methylamino)-1-oxoethyl]-2-[(4-methylphenyl)-oxomethoxy]phenyl] ester IUPAC Name: methanesulfonate; [4-[2-(methylamino)acetyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid (2-p-toluoyloxy-4-sarcosyl-phenyl) ester mesylate Formula: C26H26NO8S- MolecularWeight: 512.55154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC)OC(=O)C3=CC=C(C=C3)C.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(=O)CNC)OC(=O)C3=CC=C(C=C3)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H23NO5.CH4O3S/c1-16-4-8-18(9-5-16)24(28)30-22-13-12-20(21(27)15-26-3)14-23(22)31-25(29)19-10-6-17(2)7-11-19;1-5(2,3)4/h4-14,26H,15H2,1-3H3;1H3,(H,2,3,4)/p-1