4-phenyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-butanoic acid

Systemtic Name: 4-phenyl-3-[4-(phenylmethyl)piperidin-1-yl]sulfonyl-butanoic acid Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]-4-phenyl-butanoic acid CAS Name: 4-phenyl-3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]butanoic acid IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonyl-4-phenylbutanoic acid Traditional Name: 3-(4-benzylpiperidino)sulfonyl-4-phenyl-butyric acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C(CC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C(CC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C22H27NO4S/c24-22(25)17-21(16-19-9-5-2-6-10-19)28(26,27)23-13-11-20(12-14-23)15-18-7-3-1-4-8-18/h1-10,20-21H,11-17H2,(H,24,25)