3-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[(1-brosylisonipecotoyl)amino]propionic acid Formula: C15H19BrN2O5S MolecularWeight: 419.29076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O5S/c16-12-1-3-13(4-2-12)24(22,23)18-9-6-11(7-10-18)15(21)17-8-5-14(19)20/h1-4,11H,5-10H2,(H,17,21)(H,19,20)