2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]acetic acid CAS Name: 2-[[[(3S)-1-(4-bromophenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[(3S)-1-(4-bromophenyl)sulfonylpiperidine-3-carbonyl]amino]acetic acid Traditional Name: 2-[[(3S)-1-brosylnipecotoyl]amino]acetic acid Formula: C14H17BrN2O5S MolecularWeight: 405.26418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O5S/c15-11-3-5-12(6-4-11)23(21,22)17-7-1-2-10(9-17)14(20)16-8-13(18)19/h3-6,10H,1-2,7-9H2,(H,16,20)(H,18,19)/t10-/m0/s1