2-[[4-(4-chlorophenyl)piperazin-1-yl]oxysulfinylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]oxysulfinylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]oxysulfinylamino]-3-phenyl-propanoic acid CAS Name: 2-[[4-(4-chlorophenyl)-1-piperazinyl]oxysulfinylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-(4-chlorophenyl)piperazin-1-yl]oxysulfinylamino]-3-phenylpropanoic acid Traditional Name: 2-[[4-(4-chlorophenyl)piperazino]oxysulfinylamino]-3-phenyl-propionic acid Formula: C19H22ClN3O4S MolecularWeight: 423.91368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)Cl)OS(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)Cl)OS(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H22ClN3O4S/c20-16-6-8-17(9-7-16)22-10-12-23(13-11-22)27-28(26)21-18(19(24)25)14-15-4-2-1-3-5-15/h1-9,18,21H,10-14H2,(H,24,25)