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

Systemtic Name: 4-[1-(3,4-dichlorophenyl)sulfonyl-4-phenyl-piperidin-4-yl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[1-(3,4-dichlorophenyl)sulfonyl-4-phenyl-4-piperidyl]-2,4-dioxo-butanoic acid CAS Name: 4-[1-(3,4-dichlorophenyl)sulfonyl-4-phenyl-4-piperidinyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[1-(3,4-dichlorophenyl)sulfonyl-4-phenylpiperidin-4-yl]-2,4-dioxobutanoic acid Traditional Name: 4-[1-(3,4-dichlorophenyl)sulfonyl-4-phenyl-4-piperidyl]-2,4-diketo-butyric acid Formula: C21H19Cl2NO6S MolecularWeight: 484.34966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2NO6S/c22-16-7-6-15(12-17(16)23)31(29,30)24-10-8-21(9-11-24,14-4-2-1-3-5-14)19(26)13-18(25)20(27)28/h1-7,12H,8-11,13H2,(H,27,28)