(3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: (3S)-1-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: (3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-3-piperidinecarboxylate IUPAC Name: (3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-(2-ketopyrrolidino)phenyl]sulfonylnipecotate Formula: C16H19N2O5S- MolecularWeight: 351.39746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCCC3=O)C(=O)[O-]

InChI

InChI=1S/C16H20N2O5S/c19-15-4-2-10-18(15)13-5-7-14(8-6-13)24(22,23)17-9-1-3-12(11-17)16(20)21/h5-8,12H,1-4,9-11H2,(H,20,21)/p-1/t12-/m0/s1