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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(CC1C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)CC4=CC=CC=C4

InChI

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