methyl (2R)-2-[[(2S)-4-(3-fluorophenyl)carbonyl-1-methylsulfonyl-piperazin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-4-(3-fluorophenyl)carbonyl-1-methylsulfonyl-piperazin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-methylsulfonyl-piperazine-2-carbonyl]amino]propanoate CAS Name: (2R)-2-[[[(2S)-4-[(3-fluorophenyl)-oxomethyl]-1-methylsulfonyl-2-piperazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-methylsulfonylpiperazine-2-carbonyl]amino]propanoate Traditional Name: (2R)-2-[[(2S)-4-(3-fluorobenzoyl)-1-mesyl-piperazine-2-carbonyl]amino]propionic acid methyl ester Formula: C17H22FN3O6S MolecularWeight: 415.436483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1CN(CCN1S(=O)(=O)C)C(=O)C2=CC(=CC=C2)F

Isomeric SMILES

C[C@H](C(=O)OC)NC(=O)[C@@H]1CN(CCN1S(=O)(=O)C)C(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C17H22FN3O6S/c1-11(17(24)27-2)19-15(22)14-10-20(7-8-21(14)28(3,25)26)16(23)12-5-4-6-13(18)9-12/h4-6,9,11,14H,7-8,10H2,1-3H3,(H,19,22)/t11-,14+/m1/s1