[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C13H23N3O6S MolecularWeight: 349.40322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C

InChI

InChI=1S/C13H23N3O6S/c1-8(2)10(11(17)15-13(14)19)22-12(18)9-4-6-16(7-5-9)23(3,20)21/h8-10H,4-7H2,1-3H3,(H3,14,15,17,19)