1-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3S)-1-besylnipecotoyl]isonipecotic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c21-17(19-11-8-14(9-12-19)18(22)23)15-5-4-10-20(13-15)26(24,25)16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,23)/t15-/m0/s1