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

Systemtic Name: 4-[3-[4-(phenylmethyl)piperidin-1-yl]sulfonylphenyl]butanoic acid Openeye Name: 4-[3-[(4-benzyl-1-piperidyl)sulfonyl]phenyl]butanoic acid CAS Name: 4-[3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]phenyl]butanoic acid IUPAC Name: 4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]butanoic acid Traditional Name: 4-[3-(4-benzylpiperidino)sulfonylphenyl]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)C3=CC=CC(=C3)CCCC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)CCCC(=O)O

InChI

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