(2S)-2-(phenylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Systemtic Name: (2S)-2-(phenylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(benzenesulfonamido)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-(benzenesulfonamido)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(benzenesulfonamido)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(benzenesulfonamido)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C24H32N2O5S MolecularWeight: 460.58628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H32N2O5S/c27-24(28)23(26-32(29,30)22-7-2-1-3-8-22)18-20-9-11-21(12-10-20)31-17-5-4-6-19-13-15-25-16-14-19/h1-3,7-12,19,23,25-26H,4-6,13-18H2,(H,27,28)/t23-/m0/s1