2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylmethyl]benzoic acid

Systemtic Name: 2-[[4-(4-chlorophenyl)carbonylpiperidin-1-yl]sulfonylmethyl]benzoic acid Openeye Name: 2-[[4-(4-chlorobenzoyl)-1-piperidyl]sulfonylmethyl]benzoic acid CAS Name: 2-[[4-[(4-chlorophenyl)-oxomethyl]-1-piperidinyl]sulfonylmethyl]benzoic acid IUPAC Name: 2-[[4-(4-chlorobenzoyl)piperidin-1-yl]sulfonylmethyl]benzoic acid Traditional Name: 2-[[4-(4-chlorobenzoyl)piperidino]sulfonylmethyl]benzoic acid Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H20ClNO5S/c21-17-7-5-14(6-8-17)19(23)15-9-11-22(12-10-15)28(26,27)13-16-3-1-2-4-18(16)20(24)25/h1-8,15H,9-13H2,(H,24,25)