methyl 2-[1-[(4-fluorophenyl)methylsulfonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[(4-fluorophenyl)methylsulfonyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(4-fluorophenyl)methylsulfonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(4-fluorophenyl)methylsulfonyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[(4-fluorophenyl)methylsulfonyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(4-fluorobenzyl)sulfonyl-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C14H17FN2O5S MolecularWeight: 344.358583

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1S(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C14H17FN2O5S/c1-22-13(18)8-12-14(19)16-6-7-17(12)23(20,21)9-10-2-4-11(15)5-3-10/h2-5,12H,6-9H2,1H3,(H,16,19)