5-phenyl-2-[[1-(phenylmethyl)piperidin-4-yl]sulfonylmethyl]pentanoic acid

Systemtic Name: 5-phenyl-2-[[1-(phenylmethyl)piperidin-4-yl]sulfonylmethyl]pentanoic acid Openeye Name: 2-[(1-benzyl-4-piperidyl)sulfonylmethyl]-5-phenyl-pentanoic acid CAS Name: 5-phenyl-2-[[1-(phenylmethyl)-4-piperidinyl]sulfonylmethyl]pentanoic acid IUPAC Name: 2-[(1-benzylpiperidin-4-yl)sulfonylmethyl]-5-phenylpentanoic acid Traditional Name: 2-[(1-benzyl-4-piperidyl)sulfonylmethyl]-5-phenyl-valeric acid Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1S(=O)(=O)CC(CCCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1S(=O)(=O)CC(CCCC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C24H31NO4S/c26-24(27)22(13-7-12-20-8-3-1-4-9-20)19-30(28,29)23-14-16-25(17-15-23)18-21-10-5-2-6-11-21/h1-6,8-11,22-23H,7,12-19H2,(H,26,27)