[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C17H18FN3O5S MolecularWeight: 395.405323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CN2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H18FN3O5S/c18-13-3-1-4-14(11-13)27(24,25)21-9-7-20(8-10-21)16(22)12-26-17(23)15-5-2-6-19-15/h1-6,11,19H,7-10,12H2