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

Systemtic Name: 6-[3-(4-methylphenyl)-2-(phenylsulfonyl)benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-[2-(benzenesulfonyl)-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid CAS Name: 6-[[2-(benzenesulfonyl)-3-(4-methylphenyl)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-[2-(benzenesulfonyl)-3-(4-methylphenyl)benzimidazol-5-yl]oxyhexanoic acid Traditional Name: 6-[2-besyl-3-(p-tolyl)benzimidazol-5-yl]oxyhexanoic acid Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)O)N=C2S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=CC(=C3)OCCCCCC(=O)O)N=C2S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-19-11-13-20(14-12-19)28-24-18-21(33-17-7-3-6-10-25(29)30)15-16-23(24)27-26(28)34(31,32)22-8-4-2-5-9-22/h2,4-5,8-9,11-16,18H,3,6-7,10,17H2,1H3,(H,29,30)