2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-2-ylphenyl)carbonyl-piperazin-2-yl]ethanoic acid Openeye Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(2-pyridyl)benzoyl]piperazin-2-yl]acetic acid CAS Name: 2-[4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo-[4-(2-pyridinyl)phenyl]methyl]-2-piperazinyl]acetic acid IUPAC Name: 2-[4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-2-ylbenzoyl)piperazin-2-yl]acetic acid Traditional Name: 2-[4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(2-pyridyl)benzoyl]piperazin-2-yl]acetic acid Formula: C28H24ClN3O5S MolecularWeight: 550.02526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(C(CN1S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)CC(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5

InChI

InChI=1S/C28H24ClN3O5S/c29-23-10-8-22-16-25(11-9-21(22)15-23)38(36,37)31-13-14-32(24(18-31)17-27(33)34)28(35)20-6-4-19(5-7-20)26-3-1-2-12-30-26/h1-12,15-16,24H,13-14,17-18H2,(H,33,34)