1-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[4-(1-piperidylsulfonyl)benzoyl]piperidine-4-carboxylic acid CAS Name: 1-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-piperidinosulfonylbenzoyl)isonipecotic acid Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H24N2O5S/c21-17(19-12-8-15(9-13-19)18(22)23)14-4-6-16(7-5-14)26(24,25)20-10-2-1-3-11-20/h4-7,15H,1-3,8-13H2,(H,22,23)