4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-4-ylphenyl)carbonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(4-pyridin-4-ylphenyl)carbonyl-piperazine-2-carboxylic acid Openeye Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(4-pyridyl)benzoyl]piperazine-2-carboxylic acid CAS Name: 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[oxo-(4-pyridin-4-ylphenyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 4-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-pyridin-4-ylbenzoyl)piperazine-2-carboxylic acid Traditional Name: 4-[(6-chloro-2-naphthyl)sulfonyl]-1-[4-(4-pyridyl)benzoyl]piperazine-2-carboxylic acid Formula: C27H22ClN3O5S MolecularWeight: 535.99868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O5S/c28-23-7-5-22-16-24(8-6-21(22)15-23)37(35,36)30-13-14-31(25(17-30)27(33)34)26(32)20-3-1-18(2-4-20)19-9-11-29-12-10-19/h1-12,15-16,25H,13-14,17H2,(H,33,34)