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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1CN(CCC1C(=O)NCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H17BrN2O5S/c15-11-1-3-12(4-2-11)23(21,22)17-7-5-10(6-8-17)14(20)16-9-13(18)19/h1-4,10H,5-9H2,(H,16,20)(H,18,19)