4-[4-(2-chloranylphenoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(2-chloranylphenoxy)phenyl]sulfonyl-1-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-[4-(2-chlorophenoxy)phenyl]sulfonyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(2-chlorophenoxy)phenyl]sulfonyl-1-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[4-(2-chlorophenoxy)phenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-[4-(2-chlorophenoxy)phenyl]sulfonyl-isonipecotic acid Formula: C25H24ClNO5S MolecularWeight: 485.97976

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C25H24ClNO5S/c26-22-8-4-5-9-23(22)32-20-10-12-21(13-11-20)33(30,31)25(24(28)29)14-16-27(17-15-25)18-19-6-2-1-3-7-19/h1-13H,14-18H2,(H,28,29)