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

Systemtic Name: 3-[4-(phenylmethyl)piperidin-1-yl]sulfonylpropanoic acid Openeye Name: 3-[(4-benzyl-1-piperidyl)sulfonyl]propanoic acid CAS Name: 3-[[4-(phenylmethyl)-1-piperidinyl]sulfonyl]propanoic acid IUPAC Name: 3-(4-benzylpiperidin-1-yl)sulfonylpropanoic acid Traditional Name: 3-(4-benzylpiperidino)sulfonylpropionic acid Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C15H21NO4S/c17-15(18)8-11-21(19,20)16-9-6-14(7-10-16)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2,(H,17,18)