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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)(CC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5

Isomeric SMILES

C1CN(C(CN1)(CC(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)C5=CC=CC=N5

InChI

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