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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C16H23N3O6S2 MolecularWeight: 417.50032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

CC(C)C(C(=O)NC(=O)N)OC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C16H23N3O6S2/c1-10(2)13(14(20)18-16(17)22)25-15(21)11-5-7-19(8-6-11)27(23,24)12-4-3-9-26-12/h3-4,9-11,13H,5-8H2,1-2H3,(H3,17,18,20,22)