[2-aminocarbonyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] methanesulfonate

Systemtic Name: [2-aminocarbonyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] methanesulfonate Openeye Name: [2-carbamoyl-3-[(1-methyl-2-methylsulfanyl-ethyl)carbamoyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-carbamoyl-3-[[1-(methylthio)propan-2-ylamino]-oxomethyl]phenyl] ester IUPAC Name: [2-carbamoyl-3-(1-methylsulfanylpropan-2-ylcarbamoyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-carbamoyl-3-[[1-methyl-2-(methylthio)ethyl]carbamoyl]phenyl] ester Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)NC(=O)C1=C(C(=CC=C1)OS(=O)(=O)C)C(=O)N

Isomeric SMILES

CC(CSC)NC(=O)C1=C(C(=CC=C1)OS(=O)(=O)C)C(=O)N

InChI

InChI=1S/C13H18N2O5S2/c1-8(7-21-2)15-13(17)9-5-4-6-10(11(9)12(14)16)20-22(3,18)19/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17)