4-[4-piperidin-1-ylsulfonyl-2-(propanoylamino)phenoxy]benzoic acid

Systemtic Name: 4-[4-piperidin-1-ylsulfonyl-2-(propanoylamino)phenoxy]benzoic acid Openeye Name: 4-[4-(1-piperidylsulfonyl)-2-(propanoylamino)phenoxy]benzoic acid CAS Name: 4-[2-(1-oxopropylamino)-4-(1-piperidinylsulfonyl)phenoxy]benzoic acid IUPAC Name: 4-[4-piperidin-1-ylsulfonyl-2-(propanoylamino)phenoxy]benzoic acid Traditional Name: 4-(4-piperidinosulfonyl-2-propionamido-phenoxy)benzoic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-2-20(24)22-18-14-17(30(27,28)23-12-4-3-5-13-23)10-11-19(18)29-16-8-6-15(7-9-16)21(25)26/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)(H,25,26)