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

Systemtic Name: (2S)-2-(phenethylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Openeye Name: (2S)-2-(phenethylsulfonylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid CAS Name: (2S)-2-(phenethylsulfonylamino)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-(phenethylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid Traditional Name: (2S)-2-(phenethylsulfonylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propionic acid Formula: C26H36N2O5S MolecularWeight: 488.63944

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O5S/c29-26(30)25(28-34(31,32)19-15-21-6-2-1-3-7-21)20-23-9-11-24(12-10-23)33-18-5-4-8-22-13-16-27-17-14-22/h1-3,6-7,9-12,22,25,27-28H,4-5,8,13-20H2,(H,29,30)/t25-/m0/s1