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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F)C

InChI

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