(1S,2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid

Systemtic Name: (1S,2S)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylic acid Openeye Name: (1S,2S)-2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohexanecarboxylic acid CAS Name: (1S,2S)-2-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2S)-2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2S)-2-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]cyclohexanecarboxylic acid Formula: C18H23FN2O5S MolecularWeight: 398.449023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H23FN2O5S/c19-13-5-7-14(8-6-13)27(25,26)21-11-9-20(10-12-21)17(22)15-3-1-2-4-16(15)18(23)24/h5-8,15-16H,1-4,9-12H2,(H,23,24)/t15-,16-/m0/s1