ethyl 2-[(2S)-1-[2-[(4-fluorophenyl)carbonylamino]ethylsulfonyl]-5-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: ethyl 2-[(2S)-1-[2-[(4-fluorophenyl)carbonylamino]ethylsulfonyl]-5-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]-5-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylsulfonyl]-5-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]-5-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[2-[(4-fluorobenzoyl)amino]ethylsulfonyl]-5-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C17H22FN3O6S MolecularWeight: 415.436483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1CNC(=O)CN1S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C[C@H]1CNC(=O)CN1S(=O)(=O)CCNC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H22FN3O6S/c1-2-27-16(23)9-14-10-20-15(22)11-21(14)28(25,26)8-7-19-17(24)12-3-5-13(18)6-4-12/h3-6,14H,2,7-11H2,1H3,(H,19,24)(H,20,22)/t14-/m0/s1