1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxylic acid CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)isonipecotic acid Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C16H22N2O4S/c19-16(20)13-7-11-17(12-8-13)14-3-5-15(6-4-14)23(21,22)18-9-1-2-10-18/h3-6,13H,1-2,7-12H2,(H,19,20)