1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-(1-brosylisonipecotoyl)isonipecotic acid Formula: C18H23BrN2O5S MolecularWeight: 459.35462

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H23BrN2O5S/c19-15-1-3-16(4-2-15)27(25,26)21-11-7-13(8-12-21)17(22)20-9-5-14(6-10-20)18(23)24/h1-4,13-14H,5-12H2,(H,23,24)