[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C17H21FN2O5S MolecularWeight: 384.422443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H21FN2O5S/c1-12-9-15(12)17(22)25-11-16(21)19-5-7-20(8-6-19)26(23,24)14-4-2-3-13(18)10-14/h2-4,10,12,15H,5-9,11H2,1H3/t12-,15-/m0/s1