2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]ethanoate

Systemtic Name: 2-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]ethanoate Openeye Name: 2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]acetate CAS Name: 2-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]acetate IUPAC Name: 2-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]acetate Traditional Name: 2-[[(3S)-1-besylnipecotoyl]amino]acetate Formula: C14H17N2O5S- MolecularWeight: 325.36018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NCC(=O)[O-]

InChI

InChI=1S/C14H18N2O5S/c17-13(18)9-15-14(19)11-5-4-8-16(10-11)22(20,21)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2,(H,15,19)(H,17,18)/p-1/t11-/m0/s1