tert-butyl N-[1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazol-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazol-3-yl]carbamate Openeye Name: tert-butyl N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-pyrazol-3-yl]carbamate CAS Name: N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonyl-3-pyrazolyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-methylsulfonylpyrazol-3-yl]carbamate Traditional Name: N-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-mesyl-pyrazol-3-yl]carbamic acid tert-butyl ester Formula: C16H16Cl2F3N3O4S MolecularWeight: 474.28215

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NN(C=C1S(=O)(=O)C)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NN(C=C1S(=O)(=O)C)C2=C(C=C(C=C2Cl)C(F)(F)F)Cl

InChI

InChI=1S/C16H16Cl2F3N3O4S/c1-15(2,3)28-14(25)22-13-11(29(4,26)27)7-24(23-13)12-9(17)5-8(6-10(12)18)16(19,20)21/h5-7H,1-4H3,(H,22,23,25)