1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 1-(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: 1-[2-chloro-5-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxylate IUPAC Name: 1-(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-(2-chloro-5-piperidinosulfonyl-benzoyl)isonipecotate Formula: C18H22ClN2O5S- MolecularWeight: 413.89568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C18H23ClN2O5S/c19-16-5-4-14(27(25,26)21-8-2-1-3-9-21)12-15(16)17(22)20-10-6-13(7-11-20)18(23)24/h4-5,12-13H,1-3,6-11H2,(H,23,24)/p-1