ethyl 2,4-dimethyl-5-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H24F3N3O5S MolecularWeight: 487.49257

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)C

InChI

InChI=1S/C21H24F3N3O5S/c1-4-32-20(29)17-13(2)18(25-14(17)3)19(28)26-9-11-27(12-10-26)33(30,31)16-7-5-15(6-8-16)21(22,23)24/h5-8,25H,4,9-12H2,1-3H3