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

Systemtic Name: dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]butanedioate CAS Name: (2S)-2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]butanedioate Traditional Name: (2S)-2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]amino]succinic acid dimethyl ester Formula: C17H22FN3O7S MolecularWeight: 431.435883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22FN3O7S/c1-27-15(22)11-14(16(23)28-2)19-17(24)20-7-9-21(10-8-20)29(25,26)13-5-3-12(18)4-6-13/h3-6,14H,7-11H2,1-2H3,(H,19,24)/t14-/m0/s1