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

Systemtic Name: methanesulfonate; [4-[2-(methylamino)ethanoyl]-2-oxidanyl-phenyl] 4-methylbenzoate Openeye Name: [2-hydroxy-4-[2-(methylamino)acetyl]phenyl] 4-methylbenzoate; methanesulfonate CAS Name: methanesulfonate; 4-methylbenzoic acid [2-hydroxy-4-[2-(methylamino)-1-oxoethyl]phenyl] ester IUPAC Name: [2-hydroxy-4-[2-(methylamino)acetyl]phenyl] 4-methylbenzoate; methanesulfonate Traditional Name: 4-methylbenzoic acid (2-hydroxy-4-sarcosyl-phenyl) ester mesylate Formula: C18H20NO7S- MolecularWeight: 394.4189

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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)O.CS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO4.CH4O3S/c1-11-3-5-12(6-4-11)17(21)22-16-8-7-13(9-14(16)19)15(20)10-18-2;1-5(2,3)4/h3-9,18-19H,10H2,1-2H3;1H3,(H,2,3,4)/p-1