(3S)-1-(3-ethanoylphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-(3-ethanoylphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-(3-acetylphenyl)sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-(3-acetylphenyl)sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-(3-acetylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-(3-acetylphenyl)sulfonylnipecotate Formula: C14H16NO5S- MolecularWeight: 310.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)[O-]

InChI

InChI=1S/C14H17NO5S/c1-10(16)11-4-2-6-13(8-11)21(19,20)15-7-3-5-12(9-15)14(17)18/h2,4,6,8,12H,3,5,7,9H2,1H3,(H,17,18)/p-1/t12-/m0/s1