1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[1-oxo-3-[4-(1-pyrrolidinylsulfonyl)phenyl]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-pyrrolidinosulfonylphenyl)propanoyl]isonipecotic acid Formula: C19H26N2O5S MolecularWeight: 394.48514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5S/c22-18(20-13-9-16(10-14-20)19(23)24)8-5-15-3-6-17(7-4-15)27(25,26)21-11-1-2-12-21/h3-4,6-7,16H,1-2,5,8-14H2,(H,23,24)