4-[1-(3-chlorophenyl)sulfonyl-4-phenyl-piperidin-4-yl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[1-(3-chlorophenyl)sulfonyl-4-phenyl-piperidin-4-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-(3-chlorophenyl)sulfonyl-4-phenyl-4-piperidyl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-(3-chlorophenyl)sulfonyl-4-phenyl-4-piperidinyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-(3-chlorophenyl)sulfonyl-4-phenylpiperidin-4-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[1-(3-chlorophenyl)sulfonyl-4-phenyl-4-piperidyl]-2,4-diketo-butyric acid Formula: C21H20ClNO6S MolecularWeight: 449.9046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=CC=C2)C(=O)CC(=O)C(=O)O)S(=O)(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=CC=C2)C(=O)CC(=O)C(=O)O)S(=O)(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H20ClNO6S/c22-16-7-4-8-17(13-16)30(28,29)23-11-9-21(10-12-23,15-5-2-1-3-6-15)19(25)14-18(24)20(26)27/h1-8,13H,9-12,14H2,(H,26,27)