[1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,5,6-tetramethylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,5,6-tetramethylphenyl)sulfonylisonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCC(CC2)C(=O)OC(C(C)C)C(=O)NC(=O)N)C)C

InChI

InChI=1S/C22H33N3O6S/c1-12(2)18(20(26)24-22(23)28)31-21(27)17-7-9-25(10-8-17)32(29,30)19-15(5)13(3)11-14(4)16(19)6/h11-12,17-18H,7-10H2,1-6H3,(H3,23,24,26,28)