[4-(2-cyanopentan-2-ylcarbamoyl)-1-methyl-pyrazol-3-yl] methanesulfonate

Systemtic Name: [4-(2-cyanopentan-2-ylcarbamoyl)-1-methyl-pyrazol-3-yl] methanesulfonate Openeye Name: [4-[(1-cyano-1-methyl-butyl)carbamoyl]-1-methyl-pyrazol-3-yl] methanesulfonate CAS Name: methanesulfonic acid [4-[(2-cyanopentan-2-ylamino)-oxomethyl]-1-methyl-3-pyrazolyl] ester IUPAC Name: [4-(2-cyanopentan-2-ylcarbamoyl)-1-methylpyrazol-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[(1-cyano-1-methyl-butyl)carbamoyl]-1-methyl-pyrazol-3-yl] ester Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C#N)NC(=O)C1=CN(N=C1OS(=O)(=O)C)C

Isomeric SMILES

CCCC(C)(C#N)NC(=O)C1=CN(N=C1OS(=O)(=O)C)C

InChI

InChI=1S/C12H18N4O4S/c1-5-6-12(2,8-13)14-10(17)9-7-16(3)15-11(9)20-21(4,18)19/h7H,5-6H2,1-4H3,(H,14,17)