(3S)-1-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperidine-3-carboxylic acid Openeye Name: (3S)-1-[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(3S)-1-besylnipecotoyl]nipecotic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c21-17(19-10-4-7-15(12-19)18(22)23)14-6-5-11-20(13-14)26(24,25)16-8-2-1-3-9-16/h1-3,8-9,14-15H,4-7,10-13H2,(H,22,23)/t14-,15-/m0/s1