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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H24FN3O6S MolecularWeight: 429.463063

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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)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FN3O6S/c1-11(2)15(16(23)21-18(20)25)28-17(24)12-7-9-22(10-8-12)29(26,27)14-5-3-13(19)4-6-14/h3-6,11-12,15H,7-10H2,1-2H3,(H3,20,21,23,25)