tert-butyl 3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[2-(4-methylsulfonyl-2-nitro-anilino)ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 3-[[2-(4-methylsulfonyl-2-nitroanilino)ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(4-methylsulfonyl-2-nitroanilino)ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 3-[2-(4-mesyl-2-nitro-anilino)ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H30N4O7S MolecularWeight: 470.5398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)NCCNC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C20H30N4O7S/c1-20(2,3)31-19(26)23-11-5-6-14(13-23)18(25)22-10-9-21-16-8-7-15(32(4,29)30)12-17(16)24(27)28/h7-8,12,14,21H,5-6,9-11,13H2,1-4H3,(H,22,25)