tert-butyl 3-methyl-4-methylsulfonyl-2-(phenylmethoxycarbamoyl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 3-methyl-4-methylsulfonyl-2-(phenylmethoxycarbamoyl)piperazine-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxycarbamoyl)-3-methyl-4-methylsulfonyl-piperazine-1-carboxylate CAS Name: 3-methyl-4-methylsulfonyl-2-[oxo-(phenylmethoxyamino)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-methyl-4-methylsulfonyl-2-(phenylmethoxycarbamoyl)piperazine-1-carboxylate Traditional Name: 2-(benzoxycarbamoyl)-4-mesyl-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C)C(=O)NOCC2=CC=CC=C2

Isomeric SMILES

CC1C(N(CCN1S(=O)(=O)C)C(=O)OC(C)(C)C)C(=O)NOCC2=CC=CC=C2

InChI

InChI=1S/C19H29N3O6S/c1-14-16(17(23)20-27-13-15-9-7-6-8-10-15)21(18(24)28-19(2,3)4)11-12-22(14)29(5,25)26/h6-10,14,16H,11-13H2,1-5H3,(H,20,23)