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

Systemtic Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)piperazino]sulfonyl-1H-pyrrole-2-carboxylic acid methyl ester Formula: C16H18FN3O4S MolecularWeight: 367.395223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18FN3O4S/c1-24-16(21)15-10-14(11-18-15)25(22,23)20-8-6-19(7-9-20)13-4-2-12(17)3-5-13/h2-5,10-11,18H,6-9H2,1H3