3-[4-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[4-(4-methoxyphenyl)carbonylpiperidin-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[[4-(4-methoxybenzoyl)-1-piperidyl]sulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[[4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-(4-p-anisoylpiperidino)sulfonylphenyl]propionic acid Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H25NO6S/c1-29-19-7-5-17(6-8-19)22(26)18-12-14-23(15-13-18)30(27,28)20-9-2-16(3-10-20)4-11-21(24)25/h2-3,5-10,18H,4,11-15H2,1H3,(H,24,25)