6-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]hexanoic acid Openeye Name: 6-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]hexanoic acid CAS Name: 6-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]hexanoic acid Traditional Name: 6-[[(3S)-1-brosylnipecotoyl]amino]hexanoic acid Formula: C18H25BrN2O5S MolecularWeight: 461.3705

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCCCCC(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)Br)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C18H25BrN2O5S/c19-15-7-9-16(10-8-15)27(25,26)21-12-4-5-14(13-21)18(24)20-11-3-1-2-6-17(22)23/h7-10,14H,1-6,11-13H2,(H,20,24)(H,22,23)/t14-/m0/s1