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

Systemtic Name: methyl 1-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate Openeye Name: methyl 1-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonyl-pyrrole-2-carboxylate CAS Name: 1-methyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]sulfonyl]-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylpyrrole-2-carboxylate Traditional Name: 1-methyl-4-[4-[3-(trifluoromethyl)phenyl]piperazino]sulfonyl-pyrrole-2-carboxylic acid methyl ester Formula: C18H20F3N3O4S MolecularWeight: 431.42931

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1C=C(C=C1C(=O)OC)S(=O)(=O)N2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O4S/c1-22-12-15(11-16(22)17(25)28-2)29(26,27)24-8-6-23(7-9-24)14-5-3-4-13(10-14)18(19,20)21/h3-5,10-12H,6-9H2,1-2H3