3-[4-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl]phenyl]propanoic acid Openeye Name: 3-[4-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]phenyl]propanoic acid CAS Name: 3-[4-[2-[4-(benzenesulfonyl)-1-piperazinyl]ethyl]phenyl]propanoic acid IUPAC Name: 3-[4-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]phenyl]propanoic acid Traditional Name: 3-[4-[2-(4-besylpiperazino)ethyl]phenyl]propionic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCC2=CC=C(C=C2)CCC(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4S/c24-21(25)11-10-18-6-8-19(9-7-18)12-13-22-14-16-23(17-15-22)28(26,27)20-4-2-1-3-5-20/h1-9H,10-17H2,(H,24,25)