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

Systemtic Name: 2-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[[2-(hydroxymethyl)-1-piperidyl]sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-(hydroxymethyl)-1-piperidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-(hydroxymethyl)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(2-methylolpiperidino)sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S/c29-19-23-5-1-2-18-28(23)34(32,33)24-13-9-21(10-14-24)25(26(30)31)15-8-20-6-11-22(12-7-20)27-16-3-4-17-27/h6-7,9-14,23,25,29H,1-5,8,15-19H2,(H,30,31)