dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]pentanedioate Openeye Name: dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]glutaric acid dimethyl ester Formula: C18H24FN3O7S MolecularWeight: 445.462463

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)NC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H24FN3O7S/c1-28-16(23)8-7-15(17(24)29-2)20-18(25)21-9-11-22(12-10-21)30(26,27)14-5-3-13(19)4-6-14/h3-6,15H,7-12H2,1-2H3,(H,20,25)/t15-/m0/s1