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

Systemtic Name: 2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[[4-(2-hydroxyethyl)-1-piperidyl]sulfonyl]phenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[4-(2-hydroxyethyl)-1-piperidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[4-(2-hydroxyethyl)piperidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-[4-(2-hydroxyethyl)piperidino]sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C27H36N2O5S MolecularWeight: 500.65014

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)CCO)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCC(CC4)CCO)C(=O)O

InChI

InChI=1S/C27H36N2O5S/c30-20-15-22-13-18-29(19-14-22)35(33,34)25-10-6-23(7-11-25)26(27(31)32)12-5-21-3-8-24(9-4-21)28-16-1-2-17-28/h3-4,6-11,22,26,30H,1-2,5,12-20H2,(H,31,32)