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

Systemtic Name: (2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(propylsulfonylamino)propanoic acid Openeye Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-(propylsulfonylamino)propanoic acid CAS Name: (2S)-3-[4-[4-(4-piperidinyl)butoxy]phenyl]-2-(propylsulfonylamino)propanoic acid IUPAC Name: (2S)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]-2-(propylsulfonylamino)propanoic acid Traditional Name: (2S)-3-[4-[4-(4-piperidyl)butoxy]phenyl]-2-(propylsulfonylamino)propionic acid Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

Isomeric SMILES

CCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O

InChI

InChI=1S/C21H34N2O5S/c1-2-15-29(26,27)23-20(21(24)25)16-18-6-8-19(9-7-18)28-14-4-3-5-17-10-12-22-13-11-17/h6-9,17,20,22-23H,2-5,10-16H2,1H3,(H,24,25)/t20-/m0/s1