(3S)-1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[1-(4-bromophenyl)sulfonylpiperidin-4-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[[1-(4-bromophenyl)sulfonyl-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[1-(4-bromophenyl)sulfonylpiperidine-4-carbonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-(1-brosylisonipecotoyl)nipecotic acid Formula: C18H23BrN2O5S MolecularWeight: 459.35462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H23BrN2O5S/c19-15-3-5-16(6-4-15)27(25,26)21-10-7-13(8-11-21)17(22)20-9-1-2-14(12-20)18(23)24/h3-6,13-14H,1-2,7-12H2,(H,23,24)/t14-/m0/s1