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

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-1-methyl-pyrrole-2-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H22FN3O4S MolecularWeight: 395.448383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC(=CN1C)S(=O)(=O)N2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H22FN3O4S/c1-3-26-18(23)17-12-16(13-20(17)2)27(24,25)22-10-8-21(9-11-22)15-6-4-14(19)5-7-15/h4-7,12-13H,3,8-11H2,1-2H3