methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]sulfonyl-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C17H20FN3O4S MolecularWeight: 381.421803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20FN3O4S/c1-19-12-15(11-16(19)17(22)25-2)26(23,24)21-9-7-20(8-10-21)14-5-3-13(18)4-6-14/h3-6,11-12H,7-10H2,1-2H3