(2S)-1-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-2-carboxylate

Systemtic Name: (2S)-1-(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-2-carboxylate Openeye Name: (2S)-1-[4-chloro-3-(1-piperidylsulfonyl)benzoyl]piperidine-2-carboxylate CAS Name: (2S)-1-[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-2-piperidinecarboxylate IUPAC Name: (2S)-1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidine-2-carboxylate Traditional Name: (2S)-1-(4-chloro-3-piperidinosulfonyl-benzoyl)pipecolinate Formula: C18H22ClN2O5S- MolecularWeight: 413.89568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCCC3C(=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CCCC[C@H]3C(=O)[O-])Cl

InChI

InChI=1S/C18H23ClN2O5S/c19-14-8-7-13(17(22)21-11-5-2-6-15(21)18(23)24)12-16(14)27(25,26)20-9-3-1-4-10-20/h7-8,12,15H,1-6,9-11H2,(H,23,24)/p-1/t15-/m0/s1