2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-methylphenyl)butanoic acid

Systemtic Name: 2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(4-methylphenyl)butanoic acid Openeye Name: 2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methyl-phenyl]-4-(p-tolyl)butanoic acid CAS Name: 2-[4-[[2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]-2-methylphenyl]-4-(4-methylphenyl)butanoic acid IUPAC Name: 2-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-2-methylphenyl]-4-(4-methylphenyl)butanoic acid Traditional Name: 2-[2-methyl-4-(2-methylolpyrrolidino)sulfonyl-phenyl]-4-(p-tolyl)butyric acid Formula: C23H29NO5S MolecularWeight: 431.54506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3CO)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CCC(C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3CO)C)C(=O)O

InChI

InChI=1S/C23H29NO5S/c1-16-5-7-18(8-6-16)9-11-22(23(26)27)21-12-10-20(14-17(21)2)30(28,29)24-13-3-4-19(24)15-25/h5-8,10,12,14,19,22,25H,3-4,9,11,13,15H2,1-2H3,(H,26,27)