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

Systemtic Name: [1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (1-allophanoyl-2-methyl-propyl) 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (1-allophanoyl-2-methyl-propyl) ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O6S/c1-12(2)15(16(22)20-18(19)24)27-17(23)13-8-10-21(11-9-13)28(25,26)14-6-4-3-5-7-14/h3-7,12-13,15H,8-11H2,1-2H3,(H3,19,20,22,24)