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

Systemtic Name: ethyl 3,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 3,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24F3N3O4S MolecularWeight: 459.48247

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24F3N3O4S/c1-4-30-19(27)17-13(2)18(14(3)24-17)31(28,29)26-10-8-25(9-11-26)16-7-5-6-15(12-16)20(21,22)23/h5-7,12,24H,4,8-11H2,1-3H3