methyl 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H18F3N3O4S MolecularWeight: 417.40273

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC(=CN1)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H18F3N3O4S/c1-27-16(24)15-10-14(11-21-15)28(25,26)23-7-5-22(6-8-23)13-4-2-3-12(9-13)17(18,19)20/h2-4,9-11,21H,5-8H2,1H3