4-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoate

Systemtic Name: 4-[[(3S)-1-(phenylsulfonyl)piperidin-3-yl]carbonylamino]butanoate Openeye Name: 4-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]butanoate CAS Name: 4-[[[(3S)-1-(benzenesulfonyl)-3-piperidinyl]-oxomethyl]amino]butanoate IUPAC Name: 4-[[(3S)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]butanoate Traditional Name: 4-[[(3S)-1-besylnipecotoyl]amino]butyrate Formula: C16H21N2O5S- MolecularWeight: 353.41334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O5S/c19-15(20)9-4-10-17-16(21)13-6-5-11-18(12-13)24(22,23)14-7-2-1-3-8-14/h1-3,7-8,13H,4-6,9-12H2,(H,17,21)(H,19,20)/p-1/t13-/m0/s1