6-[3-(4-methylphenyl)-2-propylsulfonyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-(4-methylphenyl)-2-propylsulfonyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-propylsulfonyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[3-(4-methylphenyl)-2-propylsulfonyl-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[3-(4-methylphenyl)-2-propylsulfonylbenzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[2-propylsulfonyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=NC2=C(N1C3=CC=C(C=C3)C)C=C(C=C2)OCCCCCC(=O)O

Isomeric SMILES

CCCS(=O)(=O)C1=NC2=C(N1C3=CC=C(C=C3)C)C=C(C=C2)OCCCCCC(=O)O

InChI

InChI=1S/C23H28N2O5S/c1-3-15-31(28,29)23-24-20-13-12-19(30-14-6-4-5-7-22(26)27)16-21(20)25(23)18-10-8-17(2)9-11-18/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,27)