(2S)-2-[[(3R)-1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoate

Systemtic Name: (2S)-2-[[(3R)-1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoate Openeye Name: (2S)-2-[[(3R)-1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate CAS Name: (2S)-2-[[[(3R)-1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoate IUPAC Name: (2S)-2-[[(3R)-1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoate Traditional Name: (2S)-2-[[(3R)-1-(4-acetylphenyl)sulfonylnipecotoyl]amino]propionate Formula: C17H21N2O6S- MolecularWeight: 381.42344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)[O-])NC(=O)[C@@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)C

InChI

InChI=1S/C17H22N2O6S/c1-11(17(22)23)18-16(21)14-4-3-9-19(10-14)26(24,25)15-7-5-13(6-8-15)12(2)20/h5-8,11,14H,3-4,9-10H2,1-2H3,(H,18,21)(H,22,23)/p-1/t11-,14+/m0/s1