1-(4-methylsulfonyl-2-pyrrol-1-yl-phenyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(4-methylsulfonyl-2-pyrrol-1-yl-phenyl)piperidine-4-carboxylic acid Openeye Name: 1-(4-methylsulfonyl-2-pyrrol-1-yl-phenyl)piperidine-4-carboxylic acid CAS Name: 1-[4-methylsulfonyl-2-(1-pyrrolyl)phenyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(4-methylsulfonyl-2-pyrrol-1-ylphenyl)piperidine-4-carboxylic acid Traditional Name: 1-(4-mesyl-2-pyrrol-1-yl-phenyl)isonipecotic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)O)N3C=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCC(CC2)C(=O)O)N3C=CC=C3

InChI

InChI=1S/C17H20N2O4S/c1-24(22,23)14-4-5-15(16(12-14)18-8-2-3-9-18)19-10-6-13(7-11-19)17(20)21/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,20,21)