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

Systemtic Name: methyl 2,4-dimethyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H22F3N3O5S MolecularWeight: 473.46599

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O5S/c1-12-16(19(28)31-3)13(2)24-17(12)18(27)25-7-9-26(10-8-25)32(29,30)15-6-4-5-14(11-15)20(21,22)23/h4-6,11,24H,7-10H2,1-3H3