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

Systemtic Name: (3S)-1-[1-(phenylsulfonyl)piperidin-4-yl]carbonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[1-(benzenesulfonyl)piperidine-4-carbonyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(1-besylisonipecotoyl)nipecotate Formula: C18H23N2O5S- MolecularWeight: 379.45062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

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

InChI

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