(2S)-2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: (2S)-2-[[1-(4-ethanoylphenyl)sulfonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid CAS Name: (2S)-2-[[[1-(4-acetylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylpiperidine-3-carbonyl]amino]propanoic acid Traditional Name: (2S)-2-[[1-(4-acetylphenyl)sulfonylnipecotoyl]amino]propionic acid Formula: C17H22N2O6S MolecularWeight: 382.43138

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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)C1CCCN(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)/t11-,14?/m0/s1