2-[4-(2-oxidanylidenepiperidin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid

Systemtic Name: 2-[4-(2-oxidanylidenepiperidin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[(2-oxo-1-piperidyl)sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[(2-oxo-1-piperidinyl)sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-(2-oxopiperidin-1-yl)sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(2-ketopiperidino)sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

Isomeric SMILES

C1CCN(C(=O)C1)S(=O)(=O)C2=CC=C(C=C2)C(CCC3=CC=C(C=C3)N4CCCC4)C(=O)O

InChI

InChI=1S/C25H30N2O5S/c28-24-5-1-2-18-27(24)33(31,32)22-13-9-20(10-14-22)23(25(29)30)15-8-19-6-11-21(12-7-19)26-16-3-4-17-26/h6-7,9-14,23H,1-5,8,15-18H2,(H,29,30)