4-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoic acid

Systemtic Name: 4-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]carbonylamino]butanoic acid Openeye Name: 4-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid CAS Name: 4-[[[(3S)-1-(4-fluorophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]butanoic acid IUPAC Name: 4-[[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid Traditional Name: 4-[[(3S)-1-(4-fluorophenyl)sulfonylnipecotoyl]amino]butyric acid Formula: C16H21FN2O5S MolecularWeight: 372.411743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCC(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)NCCCC(=O)O

InChI

InChI=1S/C16H21FN2O5S/c17-13-5-7-14(8-6-13)25(23,24)19-10-2-3-12(11-19)16(22)18-9-1-4-15(20)21/h5-8,12H,1-4,9-11H2,(H,18,22)(H,20,21)/t12-/m0/s1