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

Systemtic Name: 2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Openeye Name: 2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid CAS Name: 2-[4-[[2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]phenyl]-4-[4-(1-pyrrolidinyl)phenyl]butanoic acid IUPAC Name: 2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-(4-pyrrolidin-1-ylphenyl)butanoic acid Traditional Name: 2-[4-(2-methylolpyrrolidino)sulfonylphenyl]-4-(4-pyrrolidinophenyl)butyric acid Formula: C25H32N2O5S MolecularWeight: 472.59698

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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)N4CCCC4CO)C(=O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CCC(C3=CC=C(C=C3)S(=O)(=O)N4CCCC4CO)C(=O)O

InChI

InChI=1S/C25H32N2O5S/c28-18-22-4-3-17-27(22)33(31,32)23-12-8-20(9-13-23)24(25(29)30)14-7-19-5-10-21(11-6-19)26-15-1-2-16-26/h5-6,8-13,22,24,28H,1-4,7,14-18H2,(H,29,30)