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

Systemtic Name: (2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid Openeye Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-(2-thienylsulfonylamino)propanoic acid CAS Name: (2S)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid IUPAC Name: (2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)propanoic acid Traditional Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-(2-thienylsulfonylamino)propionic acid Formula: C22H30N2O5S2 MolecularWeight: 466.614

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC=C(C=C2)CC(C(=O)O)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CNCCC1CCCCOC2=CC=C(C=C2)C[C@@H](C(=O)O)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H30N2O5S2/c25-22(26)20(24-31(27,28)21-5-3-15-30-21)16-18-6-8-19(9-7-18)29-14-2-1-4-17-10-12-23-13-11-17/h3,5-9,15,17,20,23-24H,1-2,4,10-14,16H2,(H,25,26)/t20-/m0/s1